Crystal Structure of Queuosine Biosynthesis Enzyme QueF Bound to Substrate PreQ0

ABSTRACT

This invention provides for the design of novel nitrile oxidoreductases that can be used as biocatalysts for industrial chemical processes and; and thus, provide attractive alternatives to traditional chemical synthesis. Generally, this technology relates to crystal structures of nitrile oxidoreductases, and of crystal structures of nitrile oxidoreductases complexed with substrates and co-factors. For example, the invention provides for the crystalline structure of the nitrile oxidoreductase, QueF, as well as for a computer-readable medium having QueF crystal structure information stored thereon.

CROSS REFERENCE TO RELATED APPLICATION

This application is a Divisional of application Ser. No. 12/981,883 filed on Dec. 30, 2010; which claims benefit of priority of U.S. Provisional Application No. 61/291,563 filed on Dec. 31, 2009, and U.S. Provisional Application No. 61/297,999 filed on Jan. 25, 2010, the entire disclosures of which are incorporated herein by reference.

FIELD OF THE INVENTION

This invention relates to crystal structures of nitrile oxidoreductases, and the use of nitrile oxidoreductases as biocatalysts for chemical processes.

BACKGROUND OF THE INVENTION

The recently characterized QueF class of enzymes reduce nitrites to primary amines. Enzymes that catalyze such reactions are referred to as nitrile oxidoreductases. QueF orthologs can be found in bacteria (such as Escherichia coli QueF and Bacilus subtilis QueF). As described in U.S. Pat. No. 7,364,882, which is incorporated herein by reference, QueF catalyzes the first known example of a biological conversion of a nitrile containing metabolite to its corresponding amine. More specifically, QueF catalyzes a late step reaction in the biosynthesis of the transfer RNA (tRNA)-modified nucleoside, queuosine (Q), a key modulator of ribosomal translational fidelity. (Van Lanen, J. S. et al. 2005; Reader, Metzgar et al. 2004.) Specifically, QueF catalyzes the nicotinamide adenine diphosphate (NADPH)-dependent, two-fold reduction of 7-cyano-7-deazaguanine (preQ₀) to 7-aminomethyl-7-deazaguanine (preQ₁), the advanced, and last common intermediate in the biosynthesis of Q. (Id.) Subsequent to the conversion of preQ₀ to PreQ₁, PreQ₁ is inserted into the tRNA by the enzyme tRNA transglycosylase (TGT), and the remainder of the pathway occurs at the level of the tRNA. (Iwata-Reuyl 2003.)

Based on their amino acid sequences, QueF enzymes fall into two structural subfamilies (Van Lanen, J. S. et al. 2005). The YkvM subfamily is comprised of ˜160-amino acid unimodular proteins with a characteristic QueF motif, i.e., E(S/L)K(S/A)hK(L/Y)(Y/F/W) (wherein h is a hydrophobic amino acid) bracketed on the N- and C-terminal sides by an invariant Cys and Glu, respectively. The YqcD subfamily of QueF enzymes is characterized by ˜280-amino acid bimodular proteins where the QueF motif and the invariant Cys and Glu are located separately, in the weakly homologous N- and C-terminal halves (modules) of the polypeptide chain, respectively. Functional analysis of an enzyme from each subfamily, YkvM (B. subtilis QueF) and YqcD (E. coli QueF), showed that YqcD enzymes are homodimers while YkvM enzymes function as higher order multimers.

The crystal structure of YkvM unimodular QueF complexed with preQ₀ reveals an asymmetric tunnel-fold homodecamer of two head-to-head facing pentameric subunits cyclically arranged to form a 20-stranded β-barrel, layered on the outside by 10 α-helices, an architecture characteristic of unimodular pterin and purine binding enzymes. The structure harbors 10 active sites each located at the interface between three monomers. Eight active sites are each occupied with a preQ₀ molecule that is anchored by the invariant Glu98. The preQ₀ molecule also forms a covalent adduct with the catalytic residue, Cys55. The empty sites are associated with two subunits that are slightly off the 5-fold symmetry axis, and exhibit disordered C-terminal regions. A glucose-6-sulfate (G6S) or glucosamine moiety, originating from dextran sulfate, occupies the previously predicted NADP site comprised of residues from two subunits and includes residues from the conserved QueF motif E₇₀(S/L)K(S/A)hK(L/Y)(Y/F/W)₈₆. Based on the foregoing structural characterization of QueF, native QueF enzymes can be mutated to engineer other nitrile oxido-reductases which have specificities for other nitile containing substrates. Engineered QueF enzymes can be used, for example, in methods that provide a nitrile oxido-reductase (such as a recombinant nitrile oxido-reductase) and contacting the nitrile containing compound with the nitrile oxido-reductase under conditions sufficient for substantially reducing the nitrile containing compound to the corresponding amine. Such methods can be performed either in vitro or in vivo.

The discovery of QueF activity expands the chemistry of known nitrile metabolizing enzymes (Banerjee, Sharma et al. 2002), which includes hydrolysis (nitrile hydratase and nitrilase), oxidation (oxygenase), and cleavage (hydroxynitrile lyase). Prior to the discovery of QueF activity, the reduction of a nitrile was unprecedented in biology. Until then, industrial processes that relied on nitrile reduction had to resort to non-biological methods of reducing nitriles. Traditionally, the reduction of nitrites to amines has been carried out synthetically by hydrogenation over various transition metal catalysts or by metal hydride reductions. However, those reactions are typically non-selective; and thus, require the use of protecting groups when other reducible functional groups are present, and result in the formation of unwanted byproducts. Conversely, methods that utilize QueF as a biocatalyst in the transformation of nitriles to their corresponding amines can provide an environmentally sensitive alternative to the synthetic conversion of nitrites to amines. To that end, the present invention is directed to the crystal structure of B. subtilis QueF (19.4 kDa, 165 amino acids). The crystal structure and structural data on the active site architecture and substrate and cofactor binding pockets of QueF may be used for the design and development of QueF mutants that bind to a variety of nitrile containing, industrially important substrates and catalyze the reduction of nitriles to their corresponding amines.

SUMMARY OF THE INVENTION

This invention provides for the design of novel nitrile oxidoreductases that can be used as biocatalysts for industrial chemical processes and; and thus, provide attractive alternatives to traditional chemical synthesis. Generally, this technology relates to crystal structures of nitrile oxidoreductases, and of crystal structures of nitrile oxidoreductases complexed with substrates and co-factors. One embodiment of the invention provides for the crystalline structure of the nitrile oxidoreductase, QueF. A related embodiment provides for the crystalline structure of QueF complexed with a substrate and a co-factor. Yet another related embodiment provides for a computer-readable medium having QueF crystal structure information stored thereon.

BRIEF DESCRIPTION OF THE TABLES

Table 1 provides the amino acids and three-dimensional atomic coordinates of the first of four QueF binding sites for preQ₀.

Table 2 provides the amino acids and three-dimensional atomic coordinates of the second of four QueF binding sites for preQ₀.

Table 3 provides the amino acids and three-dimensional atomic coordinates of third of four QueF binding sites for preQ₀.

Table 4 provides the amino acids and three-dimensional atomic coordinates of the fourth of four QueF binding sites for preQ₀.

Table 5 provides the amino acids and three-dimensional atomic coordinates of the first of four QueF binding sites for NADPH.

Table 6 provides the amino acids and three-dimensional atomic coordinates of the second of four QueF binding sites for NADPH.

Table 7 provides the amino acids and three-dimensional atomic coordinates of the third of four QueF binding sites for NADPH.

Table 8 provides the amino acids and three-dimensional atomic coordinates of the fourth of four QueF binding sites for NADPH.

BRIEF DESCRIPTION OF THE FIGURES

FIG. 1 is a graphic representation of the queuosine biosynthetic pathway in bacteria.

FIG. 2 shows a ribbon diagram of a C-alpha trace of B. subtilis QueF shown in a top view down the tunnel (left) and a side view (right). One subunit is highlighted in red. Mg²⁺ ions are shown as magenta spheres. Bound PreQ₀ molecules are shown in cyan. Bound glucose-6-sulfate is shown in green in the putative NADPH binding pocket. PEG molecules in the tunnel center are shown as yellow sticks.

FIG. 3 shows a 2Fo-Fc electron density map superposed on the QueF model in the active site region, showing bound preQ₀ molecule.

FIG. 4 shows a model of the active site between the three subunits D, C (from one pentamer) and C′ (from the opposite pentamer) with bound preQ₀. Glucose-6-sulfate and QueF motif are shown in green. Subunit labels are shown next to residue names.

FIG. 5 schematically illustrates preQ₀ binding pocket and substrate-enzyme interactions.

FIG. 6 depicts Glucose-6-sulfate interactions with QueF in the NADP binding pocket. Residues in green are from the adjacent subunit in the opposite beta barrel.

FIG. 7. A) Formation of the QueF thioimide intermediate demonstrated by annealed omit Fo-Fc electron density map (contour level 6 σ) showing covalent bond with Cys56. B) superposition of QueF thioimide complex (QueF•preQ₀, blue) with unreacted complex (yellow) showing thioimide-associated conformational changes.

DETAILED DESCRIPTION OF THE INVENTION

It should be understood that this invention is not limited to the particular methodology, protocols, and reagents, etc., described herein and as such may vary. The terminology used herein is for the purpose of describing particular embodiments only, and is not intended to limit the scope of the present invention, which is defined solely by the claims.

As used herein and in the claims, the singular forms “a,” “an,” and “the” include the plural reference and equivalents known to those skilled in the art unless the context clearly indicates otherwise. Other than in the operating examples, or where otherwise indicated, all numbers expressing quantities of ingredients or reaction conditions used herein should be understood as modified in all instances by the term “about.”

All patents and other publications identified are incorporated herein by reference for the purpose of describing and disclosing, for example, the methodologies described in such publications that might be used in connection with the present invention, but are not to provide definitions of terms inconsistent with those presented herein. These publications are provided solely for their disclosure prior to the filing date of the present application. Nothing in this regard should be construed as an admission that the inventors are not entitled to antedate such disclosure by virtue of prior invention or for any other reason. All statements as to the date or representation as to the contents of these documents is based on information available to the applicants and do not constitute any admission as to the correctness of the dates or contents of these documents.

Unless defined otherwise, all technical and scientific terms used herein have the same meaning as those commonly understood to one of ordinary skill in the art to which this invention pertains. Although methods and materials similar or equivalent to those described herein can be used in the practice or testing of the present disclosure, suitable methods and materials are described below. The materials, methods, and examples are illustrative only and not intended to be limiting. For example, the following terms have the following exemplary definitions.

-   -   NADPH: reduced form of nicotinamide adenine dinucleotide         phosphate.     -   preQ_(o): 7-cyano-7-deazaguanine     -   preQ_(l): 7-aminomethyl-7-deazaguanine     -   QueF: An exemplary group of nitrile oxido-reductases.     -   Amine: Organic compounds containing nitrogen as the key atom in         the amine functional group. Amines have structures resembling         ammonia where the nitrogen is bonded to a carbon atom, and where         one or more hydrogen atoms are replaced by organic groups, such         as: aliphatic or substituted aliphatic groups, including alkyl,         alkenyl, or alkynyl groups (or combinations thereof);         substituted aliphatic groups, including without limitation,         aliphatic groups substituted with halogen, oxygen, sulfur,         nitrogen, combinations of such elements and a functional or         groups defined by such elements; aromatic groups; substituted         aromatic groups; heterocycles; or other groups, and all possible         combinations of such groups. The substitution of one hydrogen         atom constitutes a primary amine (such as NH₂CH₃); that of two         atoms, a secondary amine (such as NH(CH₃)₂); that of three         atoms, a tertiary amine (such as N(CH₃)₃); and that of four         atoms, a quaternary ammonium ion (such as ⁺N(CH₃)₄)′ a         positively charged ion isolated only in association with a         negative ion.

In various embodiments, the crystal structural information disclosed herein is useful for the analysis of binding interactions with a ligand, e.g., for characterizing the interaction of QueF amino acid residues with nitrile group containing ligands (substrates). Such data is useful for a number of purposes, including the design of a modified QueF that can catalyze the conversion of a nitrile containing compound other than preQ₀ to the corresponding amine, such as primary amine. In some embodiments, a modified QueF will be useful, for example, in industrial applications aimed at converting nitrites and nitriles to amines.

The refined crystal structure of the B. subtilis QueF pentamer contains five QueF molecules, which are labeled A-E, four preQ₀, two glucose-6-sulfate or glucosamine molecules, two polyethylene glycol molecules, a glycerol molecule, two sulfate molecules, and four Mg²⁺ ions. N-terminal 21 amino acid residues of all protein subunits are disordered. Subunit A is also disordered in the C-terminal region following Pro159.

The crystal structure of QueF reveals a nonsymmetric homodecamer (FIG. 2) of two head-to-head facing pentamers, each comprised of a cyclic arrangement of monomeric β_(2n)α_(n) barrels characteristic of tunnel fold (T-fold) enzymes such as GTP cyclohydrolase I enzymes (Nar, Huber et al. 1995; Sankaran, Bonnett et al. 2009). The homodecamer is formed by applying the crystallographic two-fold symmetry operation on the asymmetric unit. The crystal structure also reveals that the decamer is characterized by a large molecular surface, a characteristic that is consistent with the decameric structure being the biological structure. In some embodiments, the QueF decamer comprises eight active sites which are occupied with preQ₀ and two which are empty (FIG. 2). The empty sites are associated with the two subunits that are slightly off the 5-fold symmetry axis and exhibit disordered C-termini. Amino acid residue numbers of the QueF crystal structure corresponds to sequence numbers beginning with the N-terminal methionine.

Substrate Binding Pocket

Each of the ten active sites of the QueF homodecamer are located at the interface between three subunits; two from one beta barrel, and one from the opposite beta barrel. The active site is comprised of the substrate and cofactor binding pockets. Electron density corresponding to preQ₀ is seen in the different Fourier maps in eight of the ten active sites in the homodecamer (FIG. 3). The preQ₀ binding pocket is defined by a cleft between the two subunits from the same beta barrel. FIG. 5 shows the interactions of bound preQ₀ with the enzyme. Tables 1-4 contain amino acid residues and three-dimensional (x,y,z) atomic coordinates of the QueF PreQ₀ binding site. PreQ₀ forms hydrogen bonds via its N1 and N2 atoms with the invariant Glu98 side chain, and via its N9 atom with the side chain of Glu79 (which is the first residue in the conserved QueF motif). PreQ₀ forms hydrogen bonds with the backbone amines of His97 and Ser80 via its O6 and N3 atoms. Another H-bond is formed between the exocyclic amine of preQ₀ and the carbonyl oxygen of Val78. The substrate binding pocket is also lined with hydrophobic residues that make Van der Waals interactions with preQ₀. These residues are Phe34, Phe96, and Ile131 (FIG. 5B).

In various embodiments of the invention, the crystalline structure of QueF is of QueF in complex with preQ₀. In other embodiments of the invention, the binding of preQ₀ to the substrate binding pocket of QueF includes the amino acids and binding coordinates shown in any of Tables 1-4. In some embodiments, the binding coordinates of Tables 1-4 are obtained from a QueF-substrate complex that is not bound to a QueF co-factor. However, in other embodiments the binding coordinates of Tables 1-4 are obtained from a QueF-substrate complex that is bound to a QueF co-factor.

Cofactor Binding Pocket

In addition to bound preQ₀, adjacent electron density is seen in two active sites for a glucose-6-sulfate (G6S) or glucosamine moiety, originating from dextran sulfate which was included as an additive in the crystallization buffer. G6S mimics the ribose and phosphate moieties of the enzyme cofactor NADPH and occupies the putative NADPH site predicted previously using modeling tools (Swairjo, Reddy et al. 2005). Tables 5-8 contain amino acid residues and three-dimensional (x,y,z) atomic coordinates of the QueF co-factor binding site. The cofactor pocket is at the interface between three subunits and involves residues from all three. The QueF motifs from two subunits contribute side chains to the recognition of G6S (FIG. 4, 6). Specifically, these side chains are Lys81 and Lys84 which stabilize the electronegative sulfate moiety of G6S, and Gln61 and Tyr22 that make direct and indirect H-bonds with the sugar hydroxyl groups.

In various embodiments of the invention, the crystalline structure of QueF is of QueF in complex with NADPH, while in other embodiments, QueF may be in complex with G6S. Further embodiments of the invention include the amino acids and binding coordinates that are involved with the binding of QueF co-factor to the QueF co-factor binding site, as shown in any of Tables 5-8.

Crystal Structure of QueF-Thioimide Intermediate

The crystal structure of the QueF•preQ₀ thioimide intermediate state complex in the absence of cofactor or cofactor surrogate shows that the Cys56 sulfur atom forms a 1.87 Å covalent bond with the preQ₀ nitrile carbon atom (FIG. 7). The conformational changes that are seen in the active site upon thioimide formation (FIG. 7B) are rotations in the side chains of Cys56 and Asp63, resulting in a rearranged network of hydrogen bonds with active site residues Ser54 and His97 and a tightly bound water molecule. The conformational changes suggest that these residues participate in proton transfer in the initial step of catalysis, leading to formation of the thioimide intermediate.

Computer Readable Medium Comprising QueF Structural Information

In various embodiments of the invention, QueF crystal structural information can be stored on a computer-readable medium. The invention, therefore, provides systems, particularly computer systems, that contain the atomic co-ordinate data of any one of the tables below, or selected coordinates thereof. The computer system may comprise: (i) a computer-readable data storage medium comprising data storage material encoded with the computer-readable data; (ii) a working memory for storing instructions for processing said computer-readable data; and (iii) a central-processing unit coupled to said working memory and to the computer-readable data storage medium for processing said computer-readable data and thereby generating structures.

The computer system may further comprise a display coupled to the central-processing unit for displaying the structures. The computer system may contain one or more remote devices. The remote device may comprise e.g. a computer system or computer readable media of one of the previous aspects of the invention. The device may be in a different country or jurisdiction from where the computer-readable data is received. The communication with a remote device may be via the internet, intranet, e-mail etc, or transmitted through wires or by wireless means such as by terrestrial radio or by satellite. Typically the communication will be electronic in nature, but some, or all, of the communication pathway may be optical, for example, over optical fibers. The data received may then be used in a computer-based method for the analysis of the interaction of a ligand as discussed above.

In some embodiments of the invention, the computer system discussed above may be used to analyze the fitting of a ligand to the amino acids of the QueF active site. Such embodiments may rely on a computer readable medium that comprises the amino acids and three-dimensional coordinates of any or all of Tables 1-4. In other embodiments of the invention, the computer system may be used to create a model of the interactions between QueF and its ligand, wherein any or all of the atomic coordinates of Tables 1-4 can be varied by a root mean square distance (rmsd) of less than 1.5 Å, or in other embodiments, less than 0.5 Å.

There are also embodiments of the invention that use the computer system described above to design QueF mutants that reduce nitrile-containing compounds other than preQ₀. For example, structural information about the amino acid residues and atomic coordinates that are involved in the fitting of a QueF substrate into the QueF active site, can be used to ascertain which amino acid residues can be substituted or deleted such that the QueF active site will bind to at least one ligand other than preQ₀ such that the ligand may reduced to its corresponding primary amine. Similarly, in certain embodiments, the computer system can be used to determine if certain amino acid residues should be added in order to alter QueF active site specificity. Regardless of whether an amino acid is substituted, deleted, or added as indicated in the foregoing embodiments, in some embodiments the amino acid substitution, deletion, or addition involves amino acids that interact with preQ₀. Whereas, in other embodiments the amino acid residue substitution, deletion, or addition involves amino acids that do not interact with preQ₀.

In other words, in various embodiments, it is possible to carry out virtual modeling of a modified QueF enzymes for analysis and optimization of their interactions with candidate nitrile containing compounds using the atomic coordinates shown in Tables 1-8, or coordinates derived thereof. Briefly, the atomic coordinates of the three-dimensional structure elucidated by the invention are input into a computer so that images of the structure and various parameters are shown on the display. Then, the structure and various parameters can be manipulated to create virtual models of the QueF active site, wherein the effect of at least one amino acid residue substitution, deletion, or addition on the virtual interaction between the active site and candidate nitrile containing compound can be analyzed.

Therefore, the potential reduction of a candidate nitrile containing compound by a modified QueF enzyme (i.e., a QueF enzyme in which at least one amino acid residue substitution, deletion, or addition has been made) may be analyzed prior to the actual synthesis and testing of the modified QueF enzyme by the use of computer modeling techniques. If the theoretical structure of the given modified QueF enzyme suggests insufficient interaction and association between it and a candidate nitrile containing compound, synthesis and testing of the compound may be obviated. However, if computer modeling indicates a desired interaction, the modified QueF may then be synthesized and tested for its ability to reduce the nitrile containing compound using various methods known in the art. In this manner, synthesis of inoperative modified QueF enzymes may be avoided

In some embodiments, the interaction between a modified QueF enzyme and a candidate nitrile containing compound may be computationally evaluated and designed by means of a series of steps in which candidate compounds are screened and selected for their ability to interact with individual QueF active site binding sites or combinations thereof. Conversely, in other embodiments, the interactions between a series of differently modified QueF enzymes may be computationally evaluated by their ability to interact with a selected candidate nitrile containing compound. Modified QueF enzymes may also be selected for their ability to interact with the candidate compound at individual QueF active site binding sites or combinations thereof.

One skilled in the art may use any of several methods to assess the ability of candidate nitrile group-containing compounds to interact with a modified QueF enzyme, and more particularly with specific amino acid residues of the active site. This process may begin by visual inspection of, for example, the modified QueF active site on the computer screen based on coordinates in any of the Tables 1-4. Candidate nitrile containing compounds may then be positioned in a variety of orientations, or docked, within an individual binding site in the active site as defined supra. Positioning of the candidate compound may be accomplished using, for example, software such as QUANTA, SYBYL, followed by energy minimization and molecular dynamics with standard molecular mechanics forcefields, using, for example, software such as CHARMM and AMBER. Other software packages will be known to those skilled in the art.

Specialized computer programs may also assist in the process of selecting modified QueF active sites or candidate nitrile containing compounds. These include: (1) GRID (Goodford, P. J., “A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules” J. Med. Chern., 28, pp. 849-857 (1985)), available from Oxford University, Oxford, UK; (2) MCSS (Miranker, A. and M. Karplus, “Functionality Maps of Binding Sites: A Multiple Copy Simultaneous Search Method” Proteins: Structure, Function and Genetics, 11, pp. 29-34 (1991)), available from Molecular Simulations, Burlington, Mass.; (3) AUTODOCK (available from Scripps Research Institute, La Jolla, Calif.); and (4) DOCK (Kuntz, 1. D. et al., “A Geometric Approach to Macromolecule-Ligand Interactions” J. Mol. Biol., 161, pp. 269-288 (1982)), available from University of California, San Francisco, Calif.; (5) GLIDE available from Schrodinger Inc.; (6) FlexX available from Tripos Inc; (7) GOLD (Jones et al., J. Mol. Biol., 245, 43-53, 1995), available from the Cambridge Crystallographic Data Centre; (8) Molegro Virtual Docker (Molegro ApS, available from the University of Aarhus, Denmark); and GRAMM (available from the University of Kansas). Other software packages will be known to those skilled in the art.

Once a suitable modified QueF enzyme has been selected, it can be made in silico or made, for example, according to conventional methods for introducing mutations, and producing proteins using recombinant methods. Making the modified QueF in silico may proceed by visual inspection of the relationship of the candidate compound to the QueF active site on the three-dimensional image of the active site displayed on a computer screen in relation to the candidate compound.

In some embodiments, once a modified QueF enzyme has been designed or selected to reduce a particular nitrile containing compound by the above methods, the efficiency with which that compound may bind to the QueF active site may be tested and optimized by computational evaluation. For example, an effective interaction (e.g., binding) between a nitrile containing compound and a QueF active site must be such that the compound preferably demonstrate a relatively small difference in energy between its bound and free states (i.e., a small deformation energy of binding). Thus, in certain embodiments, the most efficient interaction between a QueF active site and a nitrile containing compound should preferably occur when the deformation energy of binding is not greater than about 10 kcal/mole, preferably, not greater than 7 kcal/mole. In various other embodiments, nitrile containing compounds may interact with the QueF active in more than one conformation that is similar in overall binding energy. In those cases, the deformation energy of binding is taken to be the difference between the energy of the free compound and the average energy of the conformations observed when the compound binds to the QueF active site.

In some embodiments, the designed or selected modified QueF enzyme may be further computationally optimized so that when the nitrile containing compound is in its bound state it would preferably lack repulsive electrostatic interaction with the modified QueF active site. Such non-complementary (e.g., electrostatic) interactions include repulsive charge-charge, dipole-dipole, and charge-dipole interactions. Specifically, the sum of all electrostatic interactions between the nitrile group-containing compound and the modified QueF when the compound is bound to the active site, preferably make a neutral or favorable contribution to the enthalpy of binding.

Specific computer softwares are available in the art to evaluate compound deformation energy and electrostatic interaction. Examples of programs designed for such uses include: Gaussian 09; AMBER, version 11. Other software packages will be known to those skilled in the art.

EXAMPLES Example 1 Crystallization and Crystal Structure Determination of the Non-Covalent QueF/preQ₀ Complex

QueF from B. subtilis was overexpressed and purified as described previously (Swairjo, Reddy et al. 2005). The non-covalent enzyme/preQ₀ complex was crystallized at 293.15° K as described previously (Swairjo, Reddy et al. 2005) using the following crystallization conditions: A sample size of 4 mg/ml (0.2 mM) QueF; 1.2-5 mM preQ₀ (enzyme:substrate molar ratio of 1:6-1:25); and 1-2% dextran sulfate as an additive. The presence of dextran sulfate in the crystallization buffer was necessary to obtain improved and larger crystals. The reservoir contained the following compounds at the specified amounts: 16-24% (v/v) PEG 550 MME; 100 mM HEPES or imidazole pH 7.2-7.8; 30 mM CaCl₂; and 0.05% (w/v) NaN₃. The X-ray data were collected using synchrotron radiation at the Stanford Synchrotron Research Laboratory, beamline 1-5. The data were processed using HKL-2000 (HKL Research, Inc., Charlottesville, Va.). The structure was determined using the molecular replacement (MR) Bayesian protocol in the program Phaser (Storoni, McCoy et al. 2004). The search model used for MR was a previously generated partial homology model based on the structure of E. coli GTP cyclohydrolase I (Swairjo, Reddy et al. 2005). Both alternative space groups in the P321 Bravais lattice were tested and the solution with significantly higher likelihood gain was obtained in the P3221 space group. The partial model obtained in Phaser and describing the asymmetric unit was used for automatic tracing and refinement in the program Arp/Warp (Perrakis, Morris et al. 1999), which produced a significantly more complete model with a crystallographic R-factor of 0.35. Structure refinement was done using Refmac (Murshudov, Vagin et al. 1997) and Coot (Emsley and Cowtan 2004).

Example 2 Crystallization of the Covalent QueF•preQ₀ Thioimide Complex

Wild-type purified B. subtilis QueF was crystallized in sitting drops using the vapor diffusion method at 20° C. A 4 mg/mL QueF (˜200 uM) sample was prepared in 100 mM Tris (pH 7.5), 100 mM KCl, and then mixed with preQ₀ and dextran sulfate (average Mr 5000 Da) to final concentrations of 1.1 mM (protein:preQ₀ molar ratio ˜1:5) and 0.5%, respectively. A 2 ul aliquot of that solution was mixed with 2 ul of crystallization buffer (16% PEG500mme, 60 mM imidazole, 40 mM imidazole-CI (final pH 7.4), and 30 mM CaCl₂), and equilibrated in a sitting drop against a 500 ul reservoir of the same crystallization buffer. The crystal was harvested after 18 days of setup, soaked in 50 mM BaCl₂ for 24 hours, and then cryoprotected and stored in liquid nitrogen. X-ray data were collected from the crystal of the QueF•preQ₀ covalent complex at the Stanford Synchrotron Research Laboratory beamline BL9-1, using X-rays with wavelength 1.00002 Å (12398.2 eV). The crystal diffracted with a mosaicity of 0.5 deg, yielding 2.5 Å diffraction data with R-merge 0.38. The data were processed using HKL-2000 (HKL Research, Inc., Charlottesville, Va.). The crystal structure of the QueF•preQ₀ covalent thioimide complex was determined by direct difference Fourier methods using phases calculated from the QueF/preQ₀ no-covalent structure, and refined using Refmac.

Example 3 Determination of the Overall Structure B. subtilis QueF

The crystal structure of B. subtilis QueF was determined by molecular replacement. The refined structure of the asymmetric unit contained five QueF molecules (labeled A-E), 4 preQ₀, 2 glucose-6-sulfate or glucosamine, 2 polyethylene glycol molecules, a glycerol molecule, and two sulfate and 4 Mg²⁺ ions. All protein subunits were disordered in their N-terminal stretch of 21 residues. Subunit A was also disordered in the C-terminal region following Pro159.

The crystal structure revealed a nonsymmetric homodecamer (FIG. 2) of two head-to-head facing pentamers, each comprised of a cyclic arrangement of monomeric β_(2n)α_(n) barrels characteristic of tunnel fold (T-fold) enzymes such as GTP cyclohydrolase I enzymes (Nar, Huber et al. 1995; Sankaran, Bonnett et al. 2009). The homodecamer was formed by applying the crystallographic two-fold symmetry operation on the asymmetric unit. The crystal structure also revealed a large molecular surface area that was covered by the formation of the decamer, consistent with the decameric structure being the biological structure. In the QueF decamer, eight active sites are occupied with preQ₀ and two are empty (FIG. 2). The empty sites are associated with the two subunits that are slightly off the 5-fold symmetry axis and exhibit disordered C-termini. Residue numbers of the present QueF crystal structures correspond to sequence numbers beginning with the N-terminal methionine.

REFERENCES

-   Banerjee, A., R. Sharma, et al. (2002). “The nitriledegrading     enzymes: current status and future prospects.” Appl. Microbiol.     Biotechnol 60: 33-44. -   Emsley, P. and K. Cowtan (2004). “COOT: Model-building tools for     molecular graphics.” Acta Crystallogr D Biol Crystallogr D60:     2126-32. -   Iwata-Reuyl, D. (2003). “Biosynthesis of the 7-deazaguanosine     hypermodified nucleosides of transfer RNA.” Bioorg. Chem. 31: 24-43. -   Lee, B. W. K., S. G. Van Lanen, et al. (2007). “Mechanistic Studies     of Bacillus subtilis QueF, the Nitrile Oxidoreductase Involved in     Queuosine Biosynthesis.” Biochemistry 46: 12844-12854. -   Murshudov, G. N., A. A. Vagin, et al. (1997). “Refinement of     Macromolecular Structures by the Maximum-Likelihood Method.” Acta     Crystallogr D Biol Crystallogr D53: 240-55. -   Nar, H., R. Huber, et al. (1995). “Atomic structure of GTP     cyclohydrolase.” Structure (Camb) 3(5): 459-66. -   Perrakis, A., R. Morris, et al. (1999). “Automated protein model     building combined with iterative structure refinement.” Nature     Structural and Molecular Biology 6(5): 458-63. -   Reader, J., D. Metzgar, et al. (2004). “Identification of four genes     involved in the biosynthesis of Queuine by comparative genomics.” J     Biol Chem 279: 6280-5. -   Sankaran, B., S. A. Bonnett, et al. (2009). “Zinc-independent folate     biosynthesis: genetic, biochemical, and structural investigations     reveal new metal dependence for GTP cyclohydrolase IB.” Journal of     Bacteriology 191(22): 6936-6949. -   Storoni, L. C., A. J. McCoy, et al. (2004). “Likelihood-enhanced     fast rotation functions.” Acta Crystallogr D Biol Crystallogr 60:     432-438. -   Swairjo, M. A., R. R. Reddy, et al. (2005). “Crystallization and     preliminary X-ray characterization of the nitrile reductase QueF—a     queuosine biosynthesis enzyme.” Acta Crystallogr D Biol Crystallogr     61: 945-8. -   Van Lanen, S. G., R. J. S., et al. (2005). “From cyclohydrolase to     oxidoreductase: discovery of a nitrile reductase activity in a     common fold.” Proceedings of the National Academy of Sciences of the     United States of America 102(12): 4264-4269.

TABLE 1 REMARK Accelrys ViewerPro PDB file REMARK Created: Tue Dec 14 10:03:41 Pacific Standard Time 2010 ATOM  1 N LEU  31  −1.590 41.456   38.913 1.00 37.74 ATOM  2 CA LEU  31  −0.689 40.305   38.699 1.00 36.82 ATOM  3 CB LEU  31    0.712 40.657   39.105 1.00 35.87 ATOM  4 CG LEU  31    1.458 41.613   38.208 1.00 33.54 ATOM  5 CD1 LEU  31    2.712 42.126   38.902 1.00 28.95 ATOM  6 CD2 LEU  31    1.788 40.988   36.814 1.00 28.94 ATOM  7 C LEU  31  −1.139 38.994   39.362 1.00 37.87 ATOM  8 O LEU  31  −1.606 38.988   40.505 1.00 38.40 ATOM  9 N GLU  32  −1.030 37.888   38.612 1.00 37.64 ATOM  10 CA GLU  32  −1.388 36.560   39.083 1.00 38.64 ATOM  11 CB GLU  32  −2.670 36.036   38.425 1.00 37.72 ATOM  12 CG GLU  32  −3.941 36.735   38.823 1.00 43.03 ATOM  13 CD GLU  32  −5.224 36.066   38.255 1.00 45.25 ATOM  14 OE1 GLU  32  −6.223 36.795   38.082 1.00 53.36 ATOM  15 OE2 GLU  32  −5.268 34.819   38.003 1.00 55.49 ATOM  16 C GLU  32  −0.279 35.542   38.763 1.00 36.66 ATOM  17 O GLU  32    0.458 35.663   37.771 1.00 35.10 ATOM  18 N SER  33  −0.230 34.501   39.586 1.00 35.44 ATOM  19 CA SER  33    0.736 33.420   39.412 1.00 33.42 ATOM  20 CB SER  33    1.779 33.476   40.503 1.00 33.88 ATOM  21 OG SER  33    1.171 33.210   41.748 1.00 34.87 ATOM  22 C SER  33    0.031 32.100   39.422 1.00 31.85 ATOM  23 O SER  33  −1.099 31.970   39.880 1.00 30.19 ATOM  24 N PHE  34    0.662 31.115   38.825 1.00 31.80 ATOM  25 CA PHE  34    0.197 29.748   38.964 1.00 31.47 ATOM  26 CB PHE  34  −0.580 29.251   37.719 1.00 31.44 ATOM  27 CG PHE  34    0.229 29.223   36.454 1.00 34.03 ATOM  28 CD1 PHE  34    0.258 30.334   35.602 1.00 34.78 ATOM  29 CE1 PHE  34    1.031 30.315   34.430 1.00 36.66 ATOM  30 CZ PHE  34    1.784 29.181   34.119 1.00 35.97 ATOM  31 CE2 PHE  34    1.746 28.073   34.972 1.00 33.64 ATOM  32 CD2 PHE  34   0.973 28.098   36.111 1.00 33.16 ATOM  33 C PHE  34   1.453 28.899   39.342 1.00 32.01 ATOM  34 O PHE  34   2.595 29.361   39.097 1.00 30.56 ATOM  35 N PRO  35   1.243 27.736   40.021 1.00 30.96 ATOM  36 CA PRO  35   2.346 26.887   40.441 1.00 31.09 ATOM  37 CB PRO  35   1.633 25.670   41.121 1.00 31.52 ATOM  38 CG PRO  35   0.314 26.231   41.680 1.00 29.68 ATOM  39 CD PRO  35  −0.064 27.250   40.537 1.00 31.48 ATOM  40 C PRO  35    3.212 26.419   39.289 1.00 31.28 ATOM  41 O PRO  35    2.685 25.954   38.274 1.00 32.59 ATOM  42 N ASN  36    4.519 26.529   39.443 1.00 30.38 ATOM  43 CA ASN  36    5.433 25.780   38.599 1.00 31.68 ATOM  44 CB ASN  36    6.840 26.318   38.801 1.00 29.80 ATOM  45 CG ASN  36    7.899 25.573   37.974 1.00 27.45 ATOM  46 OD1 ASN  36    9.070 25.739   38.211 1.00 27.68 ATOM  47 ND2 ASN  36    7.490 24.737   37.081 1.00 23.47 ATOM  48 C ASN  36    5.373 24.280   38.903 1.00 33.94 ATOM  49 O ASN  36    5.591 23.870   40.049 1.00 34.49 ATOM  50 N LYS  37    5.083 23.480   37.884 1.00 36.15 ATOM  51 CA LYS  37    5.003 22.023   37.998 1.00 38.88 ATOM  52 CB LYS  37    3.957 21.465   37.025 1.00 39.35 ATOM  53 CG LYS  37    2.513 21.922   37.277 1.00 42.55 ATOM  54 CD LYS  37    1.621 21.511   36.076 1.00 43.64 ATOM  55 CE LYS  37    0.516 22.577   35.818 1.00 52.13 ATOM  56 NZ LYS  37  −0.879 22.011   35.575 1.00 54.32 ATOM  57 C LYS  37    6.316 21.272   37.715 1.00 38.75 ATOM  58 O LYS  37    6.326 20.058   37.819 1.00 39.78 ATOM  59 N HIS  38    7.384 21.975   37.330 1.00 37.81 ATOM  60 CA HIS  38    8.685 21.379   36.985 1.00 37.48 ATOM  61 CB HIS  38    8.904 21.464   35.471 1.00 36.45 ATOM  62 CG HIS  38    7.737 20.925   34.706 1.00 35.02 ATOM  63 ND1 HIS  38    7.609 19.584   34.407 1.00 33.66 ATOM  64 CE1 HIS  38    6.448 19.374   33.807 1.00 34.44 ATOM  65 NE2 HIS  38    5.804 20.527   33.736 1.00 35.48 ATOM  66 CD2 HIS  38    6.581 21.510   34.313 1.00 32.93 ATOM  67 C HIS  38    9.756 22.111   37.776 1.00 38.04 ATOM  68 O HIS  38   10.571 22.866   37.209 1.00 37.77 ATOM  69 N VAL  39    9.711 21.923   39.105 1.00 38.98 ATOM  70 CA VAL  39   10.573 22.676   40.013 1.00 38.82 ATOM  71 CB VAL  39    9.989 22.909   41.435 1.00 39.30 ATOM  72 CG1 VAL  39    8.595 23.415   41.371 1.00 36.13 ATOM  73 CG2 VAL  39   10.093 21.608   42.302 1.00 39.64 ATOM  74 C VAL  39   11.954 22.076   40.128 1.00 40.02 ATOM  75 O VAL  39   12.834 22.756   40.639 1.00 40.36 ATOM  76 N TYR  43   14.685 26.136   33.897 1.00 29.52 ATOM  77 CA TYR  43   14.249 26.467   32.521 1.00 29.35 ATOM  78 CB TYR  43   13.072 25.597   32.013 1.00 27.62 ATOM  79 CG TYR  43   11.726 25.733   32.733 1.00 28.44 ATOM  80 CD1 TYR  43   11.452 4.997   33.894 1.00 27.65 ATOM  81 CE1 TYR  43   10.199 25.094   34.538 1.00 26.92 ATOM  82 CZ TYR  43    9.181 25.893   33.994 1.00 28.88 ATOM  83 OH TYR  43    7.940 25.967   34.628 1.00 31.13 ATOM  84 CE2 TYR  43    9.424 26.624   32.852 1.00 27.33 ATOM  85 CD2 TYR  43   10.695 26.520   32.208 1.00 26.76 ATOM  86 C TYR  43   13.902 27.952   32.440 1.00 28.82 ATOM  87 O TYR  43   13.568 28.590   33.476 1.00 29.32 ATOM  88 N PHE  44   13.969 28.481   31.218 1.00 27.46 ATOM  89 CA PHE  44   13.774 29.926   30.965 1.00 26.91 ATOM  90 CB PHE  44   14.869 30.452   30.033 1.00 25.36 ATOM  91 CG PHE  44   15.870 31.403   30.680 1.00 23.94 ATOM  92 CD1 PHE  44   17.233 31.120   30.675 1.00 23.06 ATOM  93 CE1 PHE  44   18.141 31.998   31.205 1.00 23.18 ATOM  94 CZ PHE  44   17.713 33.239   31.740 1.00 25.93 ATOM  95 CE2 PHE  44   16.374 33.521   31.763 1.00 24.24 ATOM  96 CD2 PHE  44   15.463 32.613   31.197 1.00 20.63 ATOM  97 C PHE  44   12.389 30.124   30.357 1.00 26.11 ATOM  98 O PHE  44   11.916 29.333   29.582 1.00 24.99 ATOM  99 N VAL  45   11.730 31.176   30.776 1.00 26.48 ATOM 100 CA VAL  45   10.472 31.580   30.195 1.00 26.88 ATOM 101 CB VAL  45    9.290 31.488   31.208 1.00 27.53 ATOM 102 CG1 VAL  45    9.192 30.050   31.785 1.00 25.52 ATOM 103 CG2 VAL  45    7.959 31.843   30.499 1.00 24.38 ATOM 104 C VAL  45   10.667 33.037   29.735 1.00 27.93 ATOM 105 O VAL  45   11.044 33.879   30.545 1.00 27.97 ATOM 106 N LYS  46   10.453 33.285   28.438 1.00 27.94 ATOM 107 CA LYS  46   10.531 34.598   27.837 1.00 28.72 ATOM 108 CB LYS  46   11.491 34.625   26.662 1.00 28.72 ATOM 109 CG LYS  46   12.224 35.959   26.689 1.00 31.74 ATOM 110 CD LYS  46   12.314 36.760   25.416 1.00 29.01 ATOM 111 CE LYS  46   13.376 36.246   24.485 1.00 34.07 ATOM 112 NZ LYS  46   12.807 35.101   23.697 1.00 35.61 ATOM 113 C LYS  46    9.171 35.191   27.417 1.00 29.00 ATOM 114 O LYS  46    8.353 34.518   26.764 1.00 27.85 ATOM 115 N PHE  47    8.933 36.433   27.858 1.00 28.08 ATOM 116 CA PHE  47    7.786 37.200   27.463 1.00 28.15 ATOM 117 CB PHE  47    7.108 37.820   28.682 1.00 28.54 ATOM 118 CG PHE  47    6.344 36.827   29.507 1.00 30.57 ATOM 119 CD1 PHE  47    6.833 36.400   30.730 1.00 29.34 ATOM 120 CE1 PHE  47    6.152 35.470   31.449 1.00 30.06 ATOM 121 CZ PHE  47    4.997 34.956   30.967 1.00 29.14 ATOM 122 CE2 PHE  47    4.514 35.351   29.762 1.00 34.66 ATOM 123 CD2 PHE  47    5.181 36.270   29.031 1.00 31.25 ATOM 124 C PHE  47    8.248 38.338   26.541 1.00 27.47 ATOM 125 O PHE  47    9.012 39.173   26.960 1.00 26.08 ATOM 126 N ASN  48    7.822 38.309   25.283 1.00 26.85 ATOM 127 CA ASN  48    7.988 39.465   24.364 1.00 26.60 ATOM 128 CB ASN  48    8.156 38.961   22.934 1.00 25.19 ATOM 129 CG ASN  48    9.282 37.912   22.807 1.00 26.61 ATOM 130 OD1 ASN  48   10.459 38.211   23.018 1.00 25.77 ATOM 131 ND2 ASN  48    8.910 36.693   22.456 1.00 23.18 ATOM 132 C ASN  48    6.761 40.377   24.421 1.00 26.17 ATOM 133 O ASN  48    5.644 39.930   24.193 1.00 24.72 ATOM 134 N CYS  49    6.993 41.642   24.725 1.00 28.49 ATOM 135 CA CYS  49    5.933 42.614   25.032 1.00 30.12 ATOM 136 CB CYS  49    5.926 42.920   26.545 1.00 30.40 ATOM 137 SG CYS  49    6.104 41.440   27.648 1.00 32.24 ATOM 138 C CYS  49    6.185 43.923   24.237 1.00 31.25 ATOM 139 O CYS  49    6.664 44.930   24.816 1.00 30.05 ATOM 140 N ILE  69   10.937 40.191   28.913 1.00 31.19 ATOM 141 CA ILE  69   11.117 39.636   30.262 1.00 31.82 ATOM 142 CB ILE  69    9.858 39.799   31.042 1.00 32.03 ATOM 143 CG1 ILE  69    9.503 41.302   31.104 1.00 33.21 ATOM 144 CD1 ILE  69    8.117 41.583   31.677 1.00 35.10 ATOM 145 CG2 ILE  69    9.993 39.168   32.464 1.00 31.60 ATOM 146 C ILE  69   11.509 38.158   30.194 1.00 31.32 ATOM 147 O ILE  69   10.769 37.358   29.666 1.00 30.99 ATOM 148 N SER  70   12.714 37.836   30.669 1.00 31.90 ATOM 149 CA SER  70   13.176 36.451   30.783 1.00 32.15 ATOM 150 CB SER  70   14.450 36.235   30.014 1.00 32.21 ATOM 151 OG SER  70   14.262 36.495   28.667 1.00 34.21 ATOM 152 C SER  70   13.407 36.083   32.251 1.00 31.87 ATOM 153 O SER  70   14.051 36.818   33.012 1.00 32.36 ATOM 154 N TYR  71   12.852 34.956   32.653 1.00 30.91 ATOM 155 CA TYR  71   13.082 34.472   33.996 1.00 29.16 ATOM 156 CB TYR  71   12.015 35.036   34.948 1.00 29.12 ATOM 157 CG TYR  71   10.713 34.297   34.963 1.00 28.53 ATOM 158 CD1 TYR  71    9.760 34.505   33.960 1.00 27.08 ATOM 159 CE1 TYR  71    8.534 33.842   33.954 1.00 23.64 ATOM 160 CZ TYR  71    8.216 32.957   34.984 1.00 28.61 ATOM 161 OH TYR  71    6.975 32.313   34.979 1.00 28.75 ATOM 162 CE2 TYR  71    9.151 32.706   36.002 1.00 23.24 ATOM 163 CD2 TYR  71   10.395 33.415   36.004 1.00 29.21 ATOM 164 C TYR  71   13.186 32.936   34.108 1.00 27.67 ATOM 165 O TYR  71   12.777 32.190   33.192 1.00 26.91 ATOM 166 N ILE  72   13.796 32.484   35.210 1.00 25.56 ATOM 167 CA ILE  72   13.910 31.045   35.538 1.00 23.78 ATOM 168 CB ILE  72   15.392 30.629   35.872 1.00 24.49 ATOM 169 CG1 ILE  72   16.279 30.747   34.635 1.00 22.18 ATOM 170 CD1 ILE  72   17.850 30.458   34.891 1.00 20.61 ATOM 171 CG2 ILE  72   15.473 29.204   36.377 1.00 23.63 ATOM 172 C ILE  72   12.986 30.897   36.747 1.00 24.26 ATOM 173 O ILE  72   13.266 31.475   37.751 1.00 23.51 ATOM 174 N PRO  73   11.840 30.167   36.630 1.00 24.87 ATOM 175 CA PRO  73   11.006 30.155   37.795 1.00 25.95 ATOM 176 CB PRO  73    9.641 29.564   37.274 1.00 25.51 ATOM 177 CG PRO  73   10.020 28.737   36.191 1.00 26.57 ATOM 178 CD PRO  73   11.263 29.349   35.555 1.00 24.60 ATOM 179 C PRO  73   11.597 29.287   38.930 1.00 26.15 ATOM 180 O PRO  73   12.455 28.396   38.701 1.00 24.83 ATOM 181 N ASP  74   11.166 29.607   40.149 1.00 26.86 ATOM 182 CA ASP  74   11.410 28.706   41.275 1.00 27.78 ATOM 183 CB ASP  74   11.758 29.488   42.509 1.00 28.25 ATOM 184 CG ASP  74   12.170 28.584   43.698 1.00 34.79 ATOM 185 OD1 ASP  74   12.212 29.156   44.825 1.00 37.76 ATOM 186 OD2 ASP  74   12.487 27.352   43.496 1.00 33.40 ATOM 187 C ASP  74   10.133 27.931   41.422 1.00 27.61 ATOM 188 O ASP  74    9.947 26.952   40.713 1.00 29.70 ATOM 189 N GLU  75    9.204 28.403   42.238 1.00 28.13 ATOM 190 CA GLU  75    7.942 27.648   42.484 1.00 30.82 ATOM 191 CB GLU  75    7.693 27.432   44.027 1.00 28.43 ATOM 192 CG GLU  75    8.660 26.502   44.698 1.00 31.56 ATOM 193 CD GLU  75    8.896 26.790   46.223 1.00 34.21 ATOM 194 OE1 GLU  75    8.406 27.823   46.753 1.00 39.16 ATOM 195 OE2 GLU  75    9.604 25.991   46.894 1.00 38.20 ATOM 196 C GLU  75    6.659 28.278   41.884 1.00 30.56 ATOM 197 O GLU  75    5.633 27.640   41.902 1.00 30.04 ATOM 198 N LYS  76    6.732 29.524   41.391 1.00 31.29 ATOM 199 CA LYS  76    5.553 30.268   40.899 1.00 32.20 ATOM 200 CB LYS  76    5.136 31.341   41.899 1.00 30.64 ATOM 201 CG LYS  76    4.872 30.780   43.277 1.00 35.37 ATOM 202 CD LYS  76    4.285 31.801   44.293 1.00 34.43 ATOM 203 CE LYS  76    5.374 32.742   44.717 1.00 41.16 ATOM 204 NZ LYS  76    4.883 33.766   45.690 1.00 40.80 ATOM 205 C LYS  76    5.820 30.888   39.506 1.00 30.94 ATOM 206 O LYS  76    6.959 31.234   39.183 1.00 30.29 ATOM 207 N MET  77    4.771 30.965   38.686 1.00 31.18 ATOM 208 CA MET  77    4.877 31.393   37.279 1.00 31.12 ATOM 209 CB MET  77    4.453 30.276   36.354 1.00 31.49 ATOM 210 CG MET  77    4.778 28.863   36.716 1.00 33.87 ATOM 211 SD MET  77    6.325 28.385   36.007 1.00 39.96 ATOM 212 CE MET  77    6.131 28.685   34.257 1.00 33.38 ATOM 213 C MET  77    3.892 32.511   37.072 1.00 30.39 ATOM 214 O MET  77    2.770 32.366   37.491 1.00 30.57 ATOM 215 N VAL  78    4.282 33.624   36.450 1.00 31.28 ATOM 216 CA VAL  78    3.331 34.699   36.115 1.00 30.77 ATOM 217 CB VAL  78    4.029 36.003   35.753 1.00 31.61 ATOM 218 CG1 VAL  78    4.974 35.840   34.617 1.00 31.77 ATOM 219 CG2 VAL  78    2.992 37.155   35.449 1.00 32.13 ATOM 220 C VAL  78    2.409 34.242   34.985 1.00 31.34 ATOM 221 O VAL  78    2.855 33.629   34.019 1.00 31.93 ATOM 222 N GLU  79    1.118 34.478   35.161 1.00 31.85 ATOM 223 CA GLU  79    0.098 34.217   34.162 1.00 32.97 ATOM 224 CB GLU  79  −1.251 34.040   34.881 1.00 33.09 ATOM 225 CG GLU  79  −2.371 33.400   34.069 1.00 36.28 ATOM 226 CD GLU  79  −3.084 34.418   33.138 1.00 42.29 ATOM 227 OE1 GLU  79  −3.536 35.492   33.639 1.00 43.14 ATOM 228 OE2 GLU  79  −3.190 34.139   31.903 1.00 42.65 ATOM 229 C GLU  79    0.082 35.426   33.168 1.00 33.16 ATOM 230 O GLU  79    0.010 36.580   33.568 1.00 33.58 ATOM 231 N SER  80    0.239 35.109   31.883 1.00 33.78 ATOM 232 CA SER  80    0.282 36.004   30.721 1.00 34.02 ATOM 233 CB SER  80    0.115 35.128   29.464 1.00 35.89 ATOM 234 OG SER  80    0.695 35.707   28.309 1.00 38.47 ATOM 235 C SER  80  −0.753 37.118   30.680 1.00 34.03 ATOM 236 O SER  80  −0.396 38.294   30.496 1.00 34.32 ATOM 237 N LYS  81  −2.030 36.774   30.832 1.00 33.56 ATOM 238 CA LYS  81  −3.088 37.772   30.829 1.00 34.79 ATOM 239 CB LYS  81  −4.470 37.127   30.963 1.00 35.88 ATOM 240 CG LYS  81  −5.628 38.117   30.655 1.00 39.71 ATOM 241 CD LYS  81  −6.995 37.453   30.763 1.00 38.34 ATOM 242 CE LYS  81  −7.950 38.381   31.571 1.00 47.73 ATOM 243 NZ LYS  81  −9.272 37.719   32.040 1.00 47.03 ATOM 244 C LYS  81  −2.938 38.801   31.939 1.00 34.02 ATOM 245 O LYS  81  −3.196 39.999   31.688 1.00 33.61 ATOM 246 N SER  82  −2.562 38.356   33.165 1.00 31.13 ATOM 247 CA SER  82  −2.343 39.317   34.235 1.00 29.46 ATOM 248 CB SER  82  −2.158 38.596   35.611 1.00 30.51 ATOM 249 OG SER  82  −0.899 37.939   35.750 1.00 25.05 ATOM 250 C SER  82  −1.182 40.242   33.906 1.00 28.45 ATOM 251 O SER  82  −1.176 41.409   34.279 1.00 28.02 ATOM 252 N LEU  83  −0.185 39.720   33.203 1.00 28.58 ATOM 253 CA LEU  83    0.981 40.513   32.860 1.00 28.75 ATOM 254 CB LEU  83    2.080 39.587   32.304 1.00 28.91 ATOM 255 CG LEU  83    3.297 40.342   31.753 1.00 28.13 ATOM 256 CD1 LEU  83    3.924 41.269   32.851 1.00 22.93 ATOM 257 CD2 LEU  83    4.298 39.411   31.209 1.00 25.01 ATOM 258 C LEU  83    0.614 41.627   31.827 1.00 29.90 ATOM 259 O LEU  83    1.102 42.787   31.915 1.00 29.32 ATOM 260 N LYS  84  −0.273 41.269   30.884 1.00 30.73 ATOM 261 CA LYS  84  −0.836 42.194   29.881 1.00 31.05 ATOM 262 CB LYS  84  −1.823 41.456   28.973 1.00 31.72 ATOM 263 CG LYS  84  −2.601 42.363   27.983 1.00 33.82 ATOM 264 CD LYS  84  −3.687 41.588   27.240 1.00 33.38 ATOM 265 CE LYS  84  −4.966 41.607   28.021 1.00 37.80 ATOM 266 NZ LYS  84  −5.931 40.584   27.461 1.00 41.84 ATOM 267 C LYS  84  −1.571 43.273   30.624 1.00 30.38 ATOM 268 O LYS  84  −1.266 44.427   30.473 1.00 29.79 ATOM 269 N LEU  85  −2.506 42.894   31.494 1.00 31.88 ATOM 270 CA LEU  85  −3.211 43.909   32.292 1.00 31.86 ATOM 271 CB LEU  85  −4.270 43.267   33.162 1.00 32.09 ATOM 272 CG LEU  85  −5.308 42.558   32.300 1.00 34.28 ATOM 273 CD1 LEU  85  −6.144 41.582   33.135 1.00 32.52 ATOM 274 CD2 LEU  85  −6.190 43.570   31.451 1.00 31.60 ATOM 275 C LEU  85  −2.273 44.772   33.129 1.00 32.05 ATOM 276 O LEU  85  −2.472 45.980   33.231 1.00 33.60 ATOM 277 N MET 112    6.623 36.321   42.204 1.00 33.69 ATOM 278 CA MET 112    7.070 35.004   41.818 1.00 35.66 ATOM 279 CB MET 112    7.543 35.019   40.364 1.00 34.45 ATOM 280 CG MET 112    6.443 35.029   39.377 1.00 38.18 ATOM 281 SD MET 112    7.321 35.437   37.877 1.00 41.03 ATOM 282 CE MET 112    7.572 33.786   37.335 1.00 44.67 ATOM 283 C MET 112    8.243 34.444   42.612 1.00 34.33 ATOM 284 O MET 112    8.597 33.263   42.454 1.00 34.83 ATOM 285 N ASP 113    8.926 35.297   43.343 1.00 34.05 ATOM 286 CA ASP 113   10.176 34.892   43.996 1.00 34.38 ATOM 287 CB ASP 113    9.824 34.182   45.300 1.00 35.18 ATOM 288 CG ASP 113   11.009 34.028   46.226 1.00 39.45 ATOM 289 OD1 ASP 113   12.141 34.518   45.930 1.00 40.40 ATOM 290 OD2 ASP 113   10.777 33.385   47.258 1.00 44.42 ATOM 291 C ASP 113   10.991 33.959   43.083 1.00 33.52 ATOM 292 O ASP 113   11.169 32.791   43.408 1.00 32.76 ATOM 293 N PRO 114   11.470 34.466   41.920 1.00 32.30 ATOM 294 CA PRO 114   12.074 33.582   40.907 1.00 31.33 ATOM 295 CB PRO 114   12.038 34.450   39.640 1.00 30.10 ATOM 296 CG PRO 114   12.213 35.847   40.188 1.00 31.53 ATOM 297 CD PRO 114   11.486 35.879   41.501 1.00 31.75 ATOM 298 C PRO 114   13.527 33.269   41.255 1.00 30.89 ATOM 299 O PRO 114   14.128 33.985   42.083 1.00 32.21 ATOM 300 N ARG 115   14.108 32.250   40.629 1.00 29.64 ATOM 301 CA ARG 115   15.555 32.042   40.728 1.00 28.62 ATOM 302 CB ARG 115   15.965 30.708   40.062 1.00 27.29 ATOM 303 CG ARG 115   15.531 29.487   40.922 1.00 27.32 ATOM 304 CD ARG 115   15.732 28.068   40.327 1.00 28.55 ATOM 305 NE ARG 115   14.748 27.208   41.014 1.00 29.15 ATOM 306 CZ ARG 115   14.217 26.065   40.573 1.00 30.02 ATOM 307 NH1 ARG 115   14.537 25.533   39.412 1.00 29.70 ATOM 308 NH2 ARG 115   13.337 25.449   41.328 1.00 31.72 ATOM 309 C ARG 115   16.350 33.186   40.115 1.00 30.01 ATOM 310 O ARG 115   17.391 33.579   40.636 1.00 29.45 ATOM 311 O6 MOL  1    0.515 29.222   28.162 1.00 43.84 ATOM 312 C6 MOL  1    0.419 30.194   29.119 1.00 45.00 ATOM 313 N1 MOL  1    1.449 30.560   29.944 1.00 44.21 ATOM 314 C5 MOL  1  −0.807 30.859   29.254 1.00 45.89 ATOM 315 C7 MOL  1  −2.054 30.809   28.651 1.00 46.72 ATOM 316 C77 MOL  1  −2.336 29.940   27.667 1.00 46.41 ATOM 317 N77 MOL  1  −2.584 29.093   26.837 1.00 49.81 ATOM 318 C8 MOL  1  −2.963 31.704   29.207 1.00 45.82 ATOM 319 N9 MOL  1  −2.231 32.333   30.182 1.00 46.97 ATOM 320 C4 MOL  1  −0.955 31.832   30.219 1.00 45.63 ATOM 321 N3 MOL  1    0.091 32.208   31.007 1.00 43.30 ATOM 322 C2 MOL  1    1.268 31.561   30.861 1.00 44.23 ATOM 323 N2 MOL  1    2.283 31.921   31.666 1.00 46.22 ATOM 324 N LYS  46   18.626 18.344   15.095 1.00 28.21 ATOM 325 CA LYS  46   17.560 19.364   15.343 1.00 27.33 ATOM 326 CB LYS  46   18.039 20.788   15.009 1.00 26.71 ATOM 327 CG LYS  46   16.993 21.890   15.301 1.00 28.68 ATOM 328 CD LYS  46   17.108 23.041   14.364 1.00 29.59 ATOM 329 CE LYS  46   18.101 24.025   14.801 1.00 35.72 ATOM 330 NZ LYS  46   18.767 24.737   13.550 1.00 33.53 ATOM 331 C LYS  46   16.302 19.057   14.565 1.00 26.64 ATOM 332 O LYS  46   16.376 18.817   13.399 1.00 26.42 ATOM 333 N PHE  47   15.146 19.105   15.209 1.00 27.04 ATOM 334 CA PHE  47   13.869 19.117   14.514 1.00 26.96 ATOM 335 CB PHE  47   12.895 18.179   15.158 1.00 27.29 ATOM 336 CG PHE  47   13.386 16.819   15.167 1.00 32.14 ATOM 337 CD1 PHE  47   14.281 16.400   16.147 1.00 32.34 ATOM 338 CE1 PHE  47   14.802 15.100   16.093 1.00 34.46 ATOM 339 CZ PHE  47   14.418 14.230   15.091 1.00 33.35 ATOM 340 CE2 PHE  47   13.527 14.630   14.125 1.00 35.35 ATOM 341 CD2 PHE  47   13.022 15.934   14.155 1.00 35.90 ATOM 342 C PHE  47   13.298 20.518   14.521 1.00 26.50 ATOM 343 O PHE  47   13.175 21.143   15.586 1.00 25.24 ATOM 344 N ASN  48   12.925 20.988   13.326 1.00 26.57 ATOM 345 CA ASN  48   12.216 22.271   13.191 1.00 26.60 ATOM 346 CB ASN  48   12.729 23.062   11.972 1.00 26.14 ATOM 347 CG ASN  48   14.185 23.276   12.012 1.00 23.57 ATOM 348 OD1 ASN  48   14.689 23.874   12.944 1.00 28.74 ATOM 349 ND2 ASN  48   14.898 22.780   11.025 1.00 24.59 ATOM 350 C ASN  48   10.759 21.965   13.071 1.00 26.71 ATOM 351 O ASN  48   10.367 21.265   12.153 1.00 26.51 ATOM 352 N CYS  49    9.937 22.501   13.980 1.00 27.64 ATOM 353 CA CYS  49    8.530 22.095   14.036 1.00 28.17 ATOM 354 CB CYS  49    8.263 21.281   15.311 1.00 28.79 ATOM 355 SG CYS  49    9.439 19.944   15.608 1.00 32.41 ATOM 356 C CYS  49    7.620 23.317   14.012 1.00 28.06 ATOM 357 O CYS  49    7.183 23.740   15.046 1.00 26.43 ATOM 358 N PRO  50    7.371 23.909   12.810 1.00 28.99 ATOM 359 CA PRO  50    6.627 25.176   12.676 1.00 29.58 ATOM 360 CB PRO  50    7.035 25.698   11.271 1.00 29.17 ATOM 361 CG PRO  50    7.856 24.653   10.687 1.00 29.81 ATOM 362 CD PRO  50    7.877 23.434   11.507 1.00 28.43 ATOM 363 C PRO  50    5.129 25.037   12.734 1.00 29.99 ATOM 364 O PRO  50    4.437 26.042   12.772 1.00 31.25 ATOM 365 N GLU  51    4.638 23.818   12.762 1.00 30.28 ATOM 366 CA GLU  51    3.222 23.566   12.687 1.00 31.01 ATOM 367 CB GLU  51    2.970 22.532   11.618 1.00 31.20 ATOM 368 CG GLU  51    3.336 23.048   10.233 1.00 31.72 ATOM 369 CD GLU  51    3.202 21.987    9.152 1.00 39.70 ATOM 370 OE1 GLU  51    2.737 20.845    9.483 1.00 41.03 ATOM 371 OE2 GLU  51    3.580 22.291    7.977 1.00 39.79 ATOM 372 C GLU  51    2.573 23.169   13.992 1.00 30.89 ATOM 373 O GLU  51    1.545 22.525   14.014 1.00 32.20 ATOM 374 N PHE  52    3.147 23.583   15.105 1.00 30.63 ATOM 375 CA PHE  52    2.616 23.108   16.364 1.00 29.27 ATOM 376 CB PHE  52    3.717 23.089   17.437 1.00 29.89 ATOM 377 CG PHE  52    3.203 22.709   18.814 1.00 28.40 ATOM 378 CD1 PHE  52    3.178 21.381   19.225 1.00 28.58 ATOM 379 CE1 PHE  52    2.699 21.019   20.491 1.00 24.69 ATOM 380 CZ PHE  52    2.256 21.980   21.332 1.00 27.97 ATOM 381 CE2 PHE  52    2.247 23.333   20.921 1.00 29.23 ATOM 382 CD2 PHE  52    2.732 23.678   19.678 1.00 26.27 ATOM 383 C PHE  52    1.456 23.981   16.807 1.00 29.10 ATOM 384 O PHE  52    1.533 25.206   16.718 1.00 28.69 ATOM 385 N THR  53    0.382 23.317   17.264 1.00 29.45 ATOM 386 CA THR  53  −0.793 23.959   17.845 1.00 29.09 ATOM 387 CB THR  53  −1.860 24.254   16.767 1.00 28.45 ATOM 388 OG1 THR  53  −2.985 24.906   17.385 1.00 27.24 ATOM 389 CG2 THR  53  −2.277 22.976   16.080 1.00 25.51 ATOM 390 C THR  53  −1.395 23.108   18.990 1.00 30.39 ATOM 391 O THR  53  −1.329 21.888   18.964 1.00 29.67 ATOM 392 N SER  54  −2.012 23.788   19.960 1.00 31.83 ATOM 393 CA SER  54  −2.610 23.179   21.146 1.00 33.32 ATOM 394 CB SER  54  −1.544 22.902   22.229 1.00 33.47 ATOM 395 OG SER  54  −0.994 24.120   22.715 1.00 33.23 ATOM 396 C SER  54  −3.661 24.144   21.696 1.00 34.99 ATOM 397 O SER  54  −3.961 25.141   21.075 1.00 34.15 ATOM 398 N LEU  55  −4.208 23.855   22.875 1.00 38.17 ATOM 399 CA LEU  55  −5.315 24.640   23.414 1.00 40.67 ATOM 400 CB LEU  55  −6.559 23.778   23.595 1.00 40.34 ATOM 401 CG LEU  55  −7.119 23.063   22.367 1.00 37.91 ATOM 402 CD1 LEU  55  −8.373 22.345   22.800 1.00 37.30 ATOM 403 CD2 LEU  55  −7.432 24.012   21.230 1.00 39.20 ATOM 404 C LEU  55  −4.935 25.321   24.692 1.00 43.65 ATOM 405 O LEU  55  −4.064 24.834   25.425 1.00 44.27 ATOM 406 N CYS  56  −5.529 26.494   24.896 1.00 46.46 ATOM 407 CA CYS  56  −5.442 27.214   26.148 1.00 48.90 ATOM 408 CB CYS  56  −5.937 28.650   25.952 1.00 49.06 ATOM 409 SG CYS  56  −5.837 29.698   27.414 1.00 50.31 ATOM 410 C CYS  56  −6.286 26.463   27.205 1.00 50.34 ATOM 411 O CYS  56  −7.471 26.153   26.961 1.00 50.82 ATOM 412 N PRO  57  −5.677 26.132   28.362 1.00 51.54 ATOM 413 CA PRO  57  −6.344 25.179   29.267 1.00 52.63 ATOM 414 CB PRO  57  −5.274 24.902   30.330 1.00 52.63 ATOM 415 CG PRO  57  −4.377 26.143   30.303 1.00 51.98 ATOM 416 CD PRO  57  −4.366 26.585   28.879 1.00 50.82 ATOM 417 C PRO  57  −7.618 25.738   29.917 1.00 53.90 ATOM 418 O PRO  57  −8.503 24.962   30.324 1.00 54.88 ATOM 419 N LYS  58  −7.707 27.065   29.975 1.00 54.79 ATOM 420 CA LYS  58  −8.760 27.785   30.656 1.00 55.67 ATOM 421 CB LYS  58  −8.185 28.994   31.424 1.00 56.91 ATOM 422 CG LYS  58  −7.868 28.699   32.904 1.00 59.21 ATOM 423 CD LYS  58  −6.400 28.263   33.166 1.00 62.63 ATOM 424 CE LYS  58  −6.232 27.349   34.438 1.00 62.29 ATOM 425 NZ LYS  58  −6.393 25.849   34.167 1.00 63.69 ATOM 426 C LYS  58  −9.873 28.225   29.715 1.00 55.58 ATOM 427 O LYS  58 −11.048 28.018   30.032 1.00 56.09 ATOM 428 N VAL  59  −9.516 28.835   28.576 1.00 54.74 ATOM 429 CA VAL  59 −10.495 29.254   27.545 1.00 52.88 ATOM 430 CB VAL  59 −10.062 30.547   26.843 1.00 52.91 ATOM 431 CG1 VAL  59 −10.096 31.737   27.800 1.00 53.31 ATOM 432 CG2 VAL  59  −8.689 30.412   26.261 1.00 52.44 ATOM 433 C VAL  59 −10.794 28.197   26.455 1.00 52.24 ATOM 434 O VAL  59 −11.843 28.249   25.814 1.00 52.31 ATOM 435 N GLY  60  −9.883 27.253   26.220 1.00 50.54 ATOM 436 CA GLY  60 −10.030 26.353   25.061 1.00 48.58 ATOM 437 C GLY  60  −9.691 27.000   23.704 1.00 47.45 ATOM 438 O GLY  60  −9.919 26.371   22.641 1.00 46.89 ATOM 439 N GLN  61  −9.165 28.241   23.728 1.00 45.26 ATOM 440 CA GLN  61  −8.682 28.935   22.505 1.00 44.42 ATOM 441 CB GLN  61  −8.461 30.445   22.743 1.00 43.87 ATOM 442 CG GLN  61  −8.509 31.305   21.438 1.00 49.56 ATOM 443 CD GLN  61  −7.584 32.609   21.424 1.00 49.55 ATOM 444 OE1 GLN  61  −6.818 32.872   22.372 1.00 58.03 ATOM 445 NE2 GLN  61  −7.703 33.421   20.351 1.00 50.79 ATOM 446 C GLN  61  −7.391 28.259   21.985 1.00 40.55 ATOM 447 O GLN  61  −6.489 27.907   22.768 1.00 39.97 ATOM 448 N PRO  62  −7.330 28.002   20.667 1.00 37.57 ATOM 449 CA PRO  62  −6.092 27.504   20.049 1.00 34.50 ATOM 450 CB PRO  62  −6.479 27.258   18.597 1.00 34.78 ATOM 451 CG PRO  62  −7.804 27.949   18.411 1.00 35.70 ATOM 452 CD PRO  62  −8.458 28.063   19.728 1.00 36.57 ATOM 453 C PRO  62  −4.880 28.447   20.155 1.00 32.05 ATOM 454 O PRO  62  −5.026 29.633   20.185 1.00 29.71 ATOM 455 N ASP  63  −3.694 27.846   20.236 1.00 31.14 ATOM 456 CA ASP  63  −2.413 28.498   20.359 1.00 30.90 ATOM 457 CB ASP  63  −1.861 28.261   21.785 1.00 32.30 ATOM 458 CG ASP  63  −2.528 29.168   22.831 1.00 41.48 ATOM 459 OD1 ASP  63  −3.089 30.261   22.489 1.00 48.28 ATOM 460 OD2 ASP  63  −2.502 28.800   24.033 1.00 51.27 ATOM 461 C ASP  63  −1.523 27.848   19.287 1.00 28.42 ATOM 462 O ASP  63  −1.793 26.708   18.885 1.00 27.04 ATOM 463 N PHE  64  −0.455 28.544   18.857 1.00 26.58 ATOM 464 CA PHE  64    0.423 28.044   17.757 1.00 25.17 ATOM 465 CB PHE  64    0.027 28.751   16.425 1.00 24.80 ATOM 466 CG PHE  64  −1.394 28.535   16.076 1.00 23.25 ATOM 467 CD1 PHE  64  −2.374 29.210   16.765 1.00 18.99 ATOM 468 CE1 PHE  64  −3.701 28.940   16.511 1.00 25.96 ATOM 469 CZ PHE  64  −4.049 28.022   15.551 1.00 22.65 ATOM 470 CE2 PHE  64  −3.061 27.321   14.900 1.00 25.11 ATOM 471 CD2 PHE  64  −1.748 27.577   15.155 1.00 17.63 ATOM 472 C PHE  64    1.885 28.383   18.085 1.00 24.81 ATOM 473 O PHE  64    2.139 29.397   18.671 1.00 24.53 ATOM 474 N ALA  65    2.831 27.571   17.656 1.00 25.05 ATOM 475 CA ALA  65    4.215 27.831   17.987 1.00 25.65 ATOM 476 CB ALA  65    4.577 27.021   19.319 1.00 25.77 ATOM 477 C ALA  65    5.089 27.297   16.912 1.00 24.74 ATOM 478 O ALA  65    4.742 26.361   16.241 1.00 23.37 ATOM 479 N THR  66    6.290 27.800   16.827 1.00 25.21 ATOM 480 CA THR  66    7.311 26.965   16.212 1.00 26.25 ATOM 481 CB THR  66    8.168 27.805   15.251 1.00 25.43 ATOM 482 OG1 THR  66    7.324 28.233   14.174 1.00 27.57 ATOM 483 CG2 THR  66    9.227 26.978   14.693 1.00 27.62 ATOM 484 C THR  66    8.143 26.350   17.355 1.00 26.46 ATOM 485 O THR  66    8.485 27.061   18.295 1.00 27.05 ATOM 486 N ILE  67    8.450 25.060   17.283 1.00 26.09 ATOM 487 CA ILE  67    9.262 24.400   18.320 1.00 25.88 ATOM 488 CB ILE  67    8.491 23.211   18.964 1.00 27.19 ATOM 489 CG1 ILE  67    7.221 23.695   19.674 1.00 26.17 ATOM 490 CD1 ILE  67    6.369 22.525   19.940 1.00 28.34 ATOM 491 CG2 ILE  67    9.313 22.553   20.046 1.00 27.68 ATOM 492 C ILE  67   10.535 23.870   17.713 1.00 25.12 ATOM 493 O ILE  67   10.509 23.231   16.655 1.00 23.17 ATOM 494 N TYR  68   11.657 24.191   18.347 1.00 25.62 ATOM 495 CA TYR  68   12.994 23.673   17.937 1.00 25.42 ATOM 496 CB TYR  68   14.002 24.810   17.833 1.00 24.80 ATOM 497 CG TYR  68   13.560 25.871   16.820 1.00 28.39 ATOM 498 CD1 TYR  68   12.891 27.021   17.249 1.00 23.93 ATOM 499 CE1 TYR  68   12.443 27.960   16.360 1.00 29.14 ATOM 500 CZ TYR  68   12.674 27.784   14.974 1.00 31.13 ATOM 501 OH TYR  68   12.240 28.772   14.091 1.00 29.59 ATOM 502 CE2 TYR  68   13.322 26.650   14.515 1.00 30.72 ATOM 503 CD2 TYR  68   13.781 25.700   15.440 1.00 25.51 ATOM 504 C TYR  68   13.488 22.631   18.946 1.00 25.82 ATOM 505 O TYR  68   13.677 22.958   20.107 1.00 26.19 ATOM 506 N ILE  69   13.727 21.399   18.507 1.00 25.80 ATOM 507 CA ILE  69   14.164 20.366   19.438 1.00 26.12 ATOM 508 CB ILE  69   13.192 19.155   19.435 1.00 25.81 ATOM 509 CG1 ILE  69   11.800 19.560   19.904 1.00 25.28 ATOM 510 CD1 ILE  69   10.647 18.610   19.326 1.00 25.09 ATOM 511 CG2 ILE  69   13.669 18.025   20.326 1.00 24.45 ATOM 512 C ILE  69   15.537 19.970   18.980 1.00 27.18 ATOM 513 O ILE  69   15.711 19.595   17.839 1.00 29.73 ATOM 514 N HIS  93  −5.482 19.281   22.985 1.00 43.46 ATOM 515 CA HIS  93  −5.053 19.119   24.378 1.00 43.34 ATOM 516 CB HIS  93  −3.732 18.335   24.385 1.00 43.87 ATOM 517 CG HIS  93  −3.136 18.126   25.750 1.00 46.71 ATOM 518 ND1 HIS  93  −1.938 18.696   26.131 1.00 49.45 ATOM 519 CE1 HIS  93  −1.649 18.329   27.367 1.00 49.71 ATOM 520 NE2 HIS  93  −2.623 17.551   27.808 1.00 49.32 ATOM 521 CD2 HIS  93  −3.568 17.409   26.818 1.00 46.55 ATOM 522 C HIS  93  −4.805 20.478   25.011 1.00 42.85 ATOM 523 O HIS  93  −4.069 21.295   24.439 1.00 42.79 ATOM 524 N GLY  94  −5.374 20.711   26.191 1.00 42.52 ATOM 525 CA GLY  94  −5.185 21.974   26.911 1.00 43.43 ATOM 526 C GLY  94  −4.019 21.964   27.881 1.00 44.21 ATOM 527 O GLY  94  −3.951 21.072   28.692 1.00 45.14 ATOM 528 N ASP  95  −3.101 22.933   27.762 1.00 44.94 ATOM 529 CA ASP  95  −1.947 23.154   28.658 1.00 46.47 ATOM 530 CB ASP  95  −0.856 22.122   28.397 1.00 47.33 ATOM 531 CG ASP  95  −0.651 21.156   29.584 1.00 53.62 ATOM 532 OD1 ASP  95  −0.417 21.621   30.746 1.00 56.28 ATOM 533 OD2 ASP  95  −0.695 19.919   29.336 1.00 58.53 ATOM 534 C ASP  95  −1.298 24.527   28.466 1.00 45.22 ATOM 535 O ASP  95  −1.259 25.036   27.342 1.00 46.69 ATOM 536 N PHE  96  −0.747 25.105   29.525 1.00 43.39 ATOM 537 CA PHE  96    0.079 26.303   29.365 1.00 42.48 ATOM 538 CB PHE  96    0.455 26.930   30.706 1.00 43.24 ATOM 539 CG PHE  96  −0.694 27.333   31.532 1.00 46.02 ATOM 540 CD1 PHE  96  −0.938 26.715   32.751 1.00 48.97 ATOM 541 CE1 PHE  96  −2.005 27.116   33.541 1.00 50.20 ATOM 542 CZ PHE  96  −2.836 28.138   33.119 1.00 47.57 ATOM 543 CE2 PHE  96  −2.616 28.743   31.924 1.00 48.84 ATOM 544 CD2 PHE  96  −1.541 28.342   31.129 1.00 49.04 ATOM 545 C PHE  96    1.359 25.976   28.604 1.00 40.80 ATOM 546 O PHE  96    1.812 24.823   28.604 1.00 41.02 ATOM 547 N HIS  97    1.963 26.990   27.981 1.00 39.09 ATOM 548 CA HIS  97    3.140 26.774   27.092 1.00 37.64 ATOM 549 CB HIS  97    3.529 28.060   26.335 1.00 37.32 ATOM 550 CG HIS  97    2.377 28.743   25.671 1.00 37.82 ATOM 551 ND1 HIS  97    1.270 28.058   25.218 1.00 35.22 ATOM 552 CE1 HIS  97    0.406 28.914   24.714 1.00 36.09 ATOM 553 NE2 HIS  97    0.910 30.128   24.821 1.00 40.33 ATOM 554 CD2 HIS  97    2.154 30.049   25.398 1.00 38.12 ATOM 555 C HIS  97    4.383 26.254   27.799 1.00 35.95 ATOM 556 O HIS  97    5.130 25.458   27.242 1.00 35.74 ATOM 557 N GLU  98    4.612 26.741   29.010 1.00 35.36 ATOM 558 CA GLU  98    5.784 26.349   29.763 1.00 35.63 ATOM 559 CB GLU  98    5.962 27.205   31.007 1.00 35.92 ATOM 560 CG GLU  98    6.029 28.723   30.781 1.00 35.01 ATOM 561 CD GLU  98    4.686 29.396   30.817 1.00 34.70 ATOM 562 OE1 GLU  98    3.736 28.848   30.214 1.00 38.79 ATOM 563 OE2 GLU  98    4.568 30.486   31.416 1.00 33.39 ATOM 564 C GLU  98    5.680 24.883   30.118 1.00 35.51 ATOM 565 O GLU  98    6.643 24.138   29.916 1.00 36.38 ATOM 566 N ASP  99    4.507 24.464   30.603 1.00 36.06 ATOM 567 CA ASP  99    4.242 23.050   30.905 1.00 37.07 ATOM 568 CB ASP  99    2.799 22.872   31.430 1.00 37.29 ATOM 569 CG ASP  99    2.576 23.545   32.769 1.00 44.55 ATOM 570 OD1 ASP  99    3.589 23.894   33.448 1.00 52.53 ATOM 571 OD2 ASP  99    1.380 23.744   33.179 1.00 52.70 ATOM 572 C ASP  99    4.475 22.171   29.671 1.00 36.53 ATOM 573 O ASP  99    5.211 21.149   29.697 1.00 34.85 ATOM 574 N CYS 100    3.857 22.626   28.582 1.00 36.53 ATOM 575 CA CYS 100    3.931 21.993   27.312 1.00 34.40 ATOM 576 CB CYS 100    3.131 22.839   26.342 1.00 36.53 ATOM 577 SG CYS 100    2.637 21.917   24.911 1.00 43.47 ATOM 578 C CYS 100    5.350 21.725   26.797 1.00 32.45 ATOM 579 O CYS 100    5.672 20.621   26.373 1.00 31.15 ATOM 580 N MET 101    6.226 22.711   26.847 1.00 30.30 ATOM 581 CA MET 101    7.568 22.440   26.437 1.00 28.53 ATOM 582 CB MET 101    8.359 23.755   26.387 1.00 29.23 ATOM 583 CG MET 101    7.747 24.869   25.431 1.00 31.66 ATOM 584 SD MET 101    7.062 24.205   23.886 1.00 34.37 ATOM 585 CE MET 101    8.620 24.136   23.212 1.00 27.81 ATOM 586 C MET 101    8.299 21.390   27.353 1.00 28.84 ATOM 587 O MET 101    9.131 20.639   26.857 1.00 27.62 ATOM 588 N ASN 102    8.003 21.380   28.674 1.00 27.97 ATOM 589 CA ASN 102    8.595 20.412   29.664 1.00 27.65 ATOM 590 CB ASN 102    8.279 20.892   31.082 1.00 26.72 ATOM 591 CG ASN 102    9.272 21.933   31.580 1.00 26.15 ATOM 592 OD1 ASN 102   10.437 21.654   31.732 1.00 28.57 ATOM 593 ND2 ASN 102    8.802 23.121   31.833 1.00 29.55 ATOM 594 C ASN 102    8.065 19.008   29.441 1.00 26.89 ATOM 595 O ASN 102    8.814 18.050   29.461 1.00 27.39 ATOM 596 N ILE 103    6.773 18.913   29.151 1.00 27.72 ATOM 597 CA ILE 103    6.113 17.667   28.745 1.00 29.32 ATOM 598 CB ILE 103    4.594 17.915   28.544 1.00 29.95 ATOM 599 CG1 ILE 103    3.913 18.326   29.858 1.00 29.60 ATOM 600 CD1 ILE 103    2.391 18.559   29.676 1.00 31.92 ATOM 601 CG2 ILE 103    3.874 16.686   28.102 1.00 29.82 ATOM 602 C ILE 103    6.757 17.014   27.492 1.00 30.80 ATOM 603 O ILE 103    7.015 15.791   27.458 1.00 32.50 ATOM 604 N ILE 104    7.047 17.807   26.458 1.00 30.71 ATOM 605 CA ILE 104    7.614 17.264   25.241 1.00 28.75 ATOM 606 CB ILE 104    7.599 18.337   24.108 1.00 28.67 ATOM 607 CG1 ILE 104    6.145 18.655   23.727 1.00 28.45 ATOM 608 CD1 ILE 104    5.925 19.806   22.805 1.00 29.03 ATOM 609 CG2 ILE 104    8.550 17.942   22.989 1.00 23.02 ATOM 610 C ILE 104    9.044 16.860   25.522 1.00 29.62 ATOM 611 O ILE 104    9.501 15.823   25.064 1.00 30.90 ATOM 612 N MET 105    9.784 17.680   26.262 1.00 29.08 ATOM 613 CA MET 105   11.146 17.301   26.578 1.00 29.00 ATOM 614 CB MET 105   11.877 18.405   27.344 1.00 28.17 ATOM 615 CG MET 105   13.341 18.103   27.381 1.00 25.15 ATOM 616 SD MET 105   14.271 19.374   28.221 1.00 32.36 ATOM 617 CE MET 105   13.528 19.335   29.864 1.00 26.78 ATOM 618 C MET 105   11.209 16.017   27.400 1.00 28.87 ATOM 619 O MET 105   12.038 15.171   27.144 1.00 29.51 ATOM 620 N ASN 106   10.339 15.900   28.400 1.00 29.35 ATOM 621 CA ASN 106   10.332 14.742   29.319 1.00 29.59 ATOM 622 CB ASN 106    9.366 14.937   30.509 1.00 27.43 ATOM 623 CG ASN 106    9.854 15.978   31.527 1.00 27.79 ATOM 624 OD1 ASN 106   10.967 16.529   31.455 1.00 27.05 ATOM 625 ND2 ASN 106    8.991 16.284   32.466 1.00 27.32 ATOM 626 C ASN 106    9.933 13.525   28.536 1.00 30.17 ATOM 627 O ASN 106   10.576 12.474   28.664 1.00 30.56 ATOM 628 N ASP 107    8.889 13.656   27.705 1.00 30.25 ATOM 629 CA ASP 107    8.458 12.514   26.917 1.00 30.02 ATOM 630 CB ASP 107    7.227 12.796   26.104 1.00 30.96 ATOM 631 CG ASP 107    6.000 12.670   26.900 1.00 35.87 ATOM 632 OD1 ASP 107    6.058 12.098   28.020 1.00 39.79 ATOM 633 OD2 ASP 107    4.965 13.143   26.424 1.00 41.99 ATOM 634 C ASP 107    9.538 12.053   26.017 1.00 29.77 ATOM 635 O ASP 107    9.607 10.873   25.757 1.00 32.55 ATOM 636 N LEU 108   10.416 12.939   25.558 1.00 29.21 ATOM 637 CA LEU 108   11.547 12.485   24.710 1.00 29.45 ATOM 638 CB LEU 108   12.008 13.582   23.719 1.00 27.71 ATOM 639 CG LEU 108   11.033 14.016   22.592 1.00 28.91 ATOM 640 CD1 LEU 108   11.304 15.414   22.065 1.00 25.44 ATOM 641 CD2 LEU 108   11.048 12.984   21.486 1.00 27.35 ATOM 642 C LEU 108   12.761 11.949   25.488 1.00 29.54 ATOM 643 O LEU 108   13.485 11.090   25.003 1.00 29.35 ATOM 644 N VAL 119   14.460 22.055   24.286 1.00 26.85 ATOM 645 CA VAL 119   13.244 22.308   23.566 1.00 26.53 ATOM 646 CB VAL 119   12.055 21.539   24.169 1.00 26.83 ATOM 647 CG1 VAL 119   10.767 21.999   23.540 1.00 22.98 ATOM 648 CG2 VAL 119   12.265 19.977   23.977 1.00 26.48 ATOM 649 C VAL 119   13.087 23.788   23.707 1.00 28.09 ATOM 650 O VAL 119   13.156 24.296   24.836 1.00 28.03 ATOM 651 N TRP 120   13.015 24.486   22.549 1.00 26.68 ATOM 652 CA TRP 120   12.795 25.903   22.532 1.00 25.73 ATOM 653 CB TRP 120   13.960 26.597   21.891 1.00 24.90 ATOM 654 CG TRP 120   13.953 28.039   22.126 1.00 24.58 ATOM 655 CD1 TRP 120   12.909 28.825   22.594 1.00 25.77 ATOM 656 NE1 TRP 120   13.332 30.139   22.684 1.00 24.65 ATOM 657 CE2 TRP 120   14.636 30.212   22.278 1.00 21.13 ATOM 658 CD2 TRP 120   15.046 28.924   21.901 1.00 22.88 ATOM 659 CE3 TRP 120   16.364 28.736   21.447 1.00 25.22 ATOM 660 CZ3 TRP 120   17.199 29.833   21.371 1.00 23.43 ATOM 661 CH2 TRP 120   16.747 31.121   21.696 1.00 23.39 ATOM 662 CZ2 TRP 120   15.487 31.332   22.178 1.00 22.89 ATOM 663 C TRP 120   11.472 26.218   21.776 1.00 25.94 ATOM 664 O TRP 120   11.390 26.012   20.585 1.00 25.78 ATOM 665 N GLY 121   10.457 26.719   22.476 1.00 26.21 ATOM 666 CA GLY 121    9.111 26.915   21.904 1.00 25.55 ATOM 667 C GLY 121    8.952 28.405   21.632 1.00 25.37 ATOM 668 O GLY 121    9.430 29.229   22.405 1.00 25.74 ATOM 669 N LYS 122    8.301 28.770   20.527 1.00 24.36 ATOM 670 CA LYS 122    8.171 30.194   20.172 1.00 23.32 ATOM 671 CB LYS 122    9.177 30.579   19.066 1.00 23.06 ATOM 672 CG LYS 122   10.643 30.678   19.617 1.00 24.84 ATOM 673 CD LYS 122   11.621 31.000   18.505 1.00 25.66 ATOM 674 CE LYS 122   12.979 31.407   19.033 1.00 30.58 ATOM 675 NZ LYS 122   13.698 32.166   17.957 1.00 28.48 ATOM 676 C LYS 122    6.774 30.444   19.737 1.00 23.02 ATOM 677 O LYS 122    6.439 30.296   18.583 1.00 21.33 ATOM 678 N PHE 123    5.949 30.881   20.674 1.00 24.66 ATOM 679 CA PHE 123    4.519 30.898   20.469 1.00 25.71 ATOM 680 CB PHE 123    3.793 30.683   21.792 1.00 25.39 ATOM 681 CG PHE 123    3.680 29.227   22.165 1.00 25.58 ATOM 682 CD1 PHE 123    4.756 28.564   22.787 1.00 23.88 ATOM 683 CE1 PHE 123    4.686 27.216   23.095 1.00 27.12 ATOM 684 CZ PHE 123    3.508 26.513   22.797 1.00 25.61 ATOM 685 CE2 PHE 123    2.419 27.189   22.208 1.00 25.86 ATOM 686 CD2 PHE 123    2.526 28.534   21.887 1.00 21.27 ATOM 687 C PHE 123    4.099 32.203   19.858 1.00 27.78 ATOM 688 O PHE 123    4.863 33.172   19.935 1.00 26.73 ATOM 689 N THR 124    2.902 32.225   19.251 1.00 28.45 ATOM 690 CA THR 124    2.394 33.468   18.678 1.00 29.21 ATOM 691 CB THR 124    1.377 33.216   17.560 1.00 29.38 ATOM 692 OG1 THR 124    0.295 32.413   18.054 1.00 29.10 ATOM 693 CG2 THR 124    2.024 32.537   16.347 1.00 28.56 ATOM 694 C THR 124    1.705 34.268   19.758 1.00 30.74 ATOM 695 O THR 124    1.272 33.677   20.770 1.00 30.61 ATOM 696 N PRO 125    1.584 35.609   19.566 1.00 31.11 ATOM 697 CA PRO 125    1.093 36.383   20.694 1.00 31.41 ATOM 698 CB PRO 125    1.441 37.821   20.312 1.00 31.81 ATOM 699 CG PRO 125    1.426 37.818   18.814 1.00 31.39 ATOM 700 CD PRO 125    1.955 36.471   18.426 1.00 30.80 ATOM 701 C PRO 125  −0.375 36.254   21.001 1.00 31.85 ATOM 702 O PRO 125  −1.142 35.815   20.168 1.00 31.82 ATOM 703 N ARG 126  −0.739 36.651   22.218 1.00 33.65 ATOM 704 CA ARG 126  −2.123 36.671   22.722 1.00 35.35 ATOM 705 CB ARG 126  −2.375 35.471   23.626 1.00 35.69 ATOM 706 CG ARG 126  −2.148 34.137   22.932 1.00 43.61 ATOM 707 CD ARG 126  −3.499 33.548   22.502 1.00 50.39 ATOM 708 NE ARG 126  −3.451 32.934   21.173 1.00 55.49 ATOM 709 CZ ARG 126  −3.722 33.575   20.038 1.00 55.94 ATOM 710 NH1 ARG 126  −4.058 34.856   20.065 1.00 56.17 ATOM 711 NH2 ARG 126  −3.659 32.930   18.885 1.00 53.93 ATOM 712 C ARG 126  −2.174 37.849   23.636 1.00 33.98 ATOM 713 O ARG 126  −1.427 37.875   24.590 1.00 34.55 ATOM 714 N GLY 127  −3.067 38.796   23.398 1.00 33.08 ATOM 715 CA GLY 127  −3.086 40.063   24.155 1.00 31.37 ATOM 716 C GLY 127  −1.787 40.837   23.987 1.00 31.90 ATOM 717 O GLY 127  −1.358 41.585   24.913 1.00 32.33 ATOM 718 N GLY 128  −1.162 40.662   22.815 1.00 29.85 ATOM 719 CA GLY 128    0.070 41.349   22.481 1.00 29.52 ATOM 720 C GLY 128    1.369 40.758   23.014 1.00 29.89 ATOM 721 O GLY 128    2.428 41.286   22.720 1.00 31.57 ATOM 722 N ILE 129    1.291 39.699   23.817 1.00 28.05 ATOM 723 CA ILE 129    2.478 39.104   24.493 1.00 28.03 ATOM 724 CB ILE 129    2.202 38.969   26.050 1.00 27.24 ATOM 725 CG1 ILE 129    1.958 40.361   26.644 1.00 25.80 ATOM 726 CD1 ILE 129    2.089 40.395   28.153 1.00 30.11 ATOM 727 CG2 ILE 129    3.333 38.145   26.789 1.00 26.81 ATOM 728 C ILE 129    2.732 37.707   23.943 1.00 26.21 ATOM 729 O ILE 129    1.808 36.919   23.894 1.00 27.19 ATOM 730 N SER 130    3.947 37.391   23.546 1.00 24.89 ATOM 731 CA SER 130    4.217 36.024   23.166 1.00 27.04 ATOM 732 CB SER 130    4.803 35.976   21.770 1.00 26.36 ATOM 733 OG SER 130    5.830 36.922   21.748 1.00 29.36 ATOM 734 C SER 130    5.169 35.406   24.211 1.00 27.61 ATOM 735 O SER 130    5.897 36.120   24.915 1.00 28.20 ATOM 736 N ILE 131    5.105 34.094   24.346 1.00 29.41 ATOM 737 CA ILE 131    5.857 33.352   25.394 1.00 28.69 ATOM 738 CB ILE 131    4.872 32.597   26.303 1.00 29.39 ATOM 739 CG1 ILE 131    3.814 33.571   26.816 1.00 26.63 ATOM 740 CD1 ILE 131    2.668 32.883   27.568 1.00 32.14 ATOM 741 CG2 ILE 131    5.600 31.911   27.480 1.00 29.11 ATOM 742 C ILE 131    6.739 32.349   24.693 1.00 29.13 ATOM 743 O ILE 131    6.219 31.520   23.940 1.00 30.99 ATOM 744 N ASP 132    8.047 32.442   24.921 1.00 28.25 ATOM 745 CA ASP 132    9.033 31.541   24.383 1.00 28.57 ATOM 746 CB ASP 132   10.072 32.355   23.599 1.00 29.24 ATOM 747 CG ASP 132    9.423 33.268   22.466 1.00 31.19 ATOM 748 OD1 ASP 132    8.235 33.051   22.043 1.00 29.77 ATOM 749 OD2 ASP 132   10.137 34.175   22.000 1.00 31.92 ATOM 750 C ASP 132    9.726 30.729   25.532 1.00 29.15 ATOM 751 O ASP 132   10.765 31.138   26.058 1.00 30.13 ATOM 752 N PRO 133    9.168 29.570   25.919 1.00 28.35 ATOM 753 CA PRO 133    9.868 28.720   26.952 1.00 27.52 ATOM 754 CB PRO 133    8.790 27.755   27.429 1.00 26.66 ATOM 755 CG PRO 133    7.456 28.244   26.752 1.00 28.85 ATOM 756 CD PRO 133    7.862 29.013   25.526 1.00 28.03 ATOM 757 C PRO 133   11.010 27.900   26.361 1.00 27.31 ATOM 758 O PRO 133   10.890 27.305   25.265 1.00 26.04 ATOM 759 N TYR 134   12.122 27.882   27.104 1.00 26.45 ATOM 760 CA TYR 134   13.262 27.096   26.742 1.00 26.35 ATOM 761 CB TYR 134   14.408 28.049   26.500 1.00 26.01 ATOM 762 CG TYR 134   15.728 27.349   26.336 1.00 25.57 ATOM 763 CD1 TYR 134   16.651 27.352   27.354 1.00 23.87 ATOM 764 CE1 TYR 134   17.923 26.711   27.189 1.00 21.07 ATOM 765 CZ TYR 134   18.241 26.108   26.021 1.00 24.07 ATOM 766 OH TYR 134   19.489 25.492   25.878 1.00 26.19 ATOM 767 CE2 TYR 134   17.321 26.123   24.947 1.00 25.33 ATOM 768 CD2 TYR 134   16.081 26.756   25.120 1.00 23.53 ATOM 769 C TYR 134   13.600 26.147   27.904 1.00 26.71 ATOM 770 O TYR 134   13.870 26.613   29.015 1.00 24.61 ATOM 771 N THR 135   13.562 24.842   27.623 1.00 26.48 ATOM 772 CA THR 135   13.863 23.814   28.597 1.00 27.81 ATOM 773 CB THR 135   12.602 22.932   28.947 1.00 28.09 ATOM 774 OG1 THR 135   12.286 22.062   27.870 1.00 28.86 ATOM 775 CG2 THR 135   11.401 23.754   29.095 1.00 28.26 ATOM 776 C THR 135   15.026 22.995   28.031 1.00 28.05 ATOM 777 O THR 135   15.103 22.824   26.802 1.00 27.50 ATOM 778 N ASN 164    5.372 41.527   16.756 1.00 38.98 ATOM 779 CA ASN 164    4.101 40.866   16.413 1.00 38.32 ATOM 780 CB ASN 164    2.995 41.248   17.394 1.00 37.51 ATOM 781 CG ASN 164    3.375 40.979   18.868 1.00 38.10 ATOM 782 OD1 ASN 164    4.311 40.218   19.167 1.00 33.68 ATOM 783 ND2 ASN 164    2.665 41.636   19.780 1.00 34.99 ATOM 784 C ASN 164    3.639 40.958   14.938 1.00 38.77 ATOM 785 O ASN 164    2.420 40.817   14.640 1.00 39.55 ATOM 786 O3S G6S 202    0.434 13.616    0.144 1.00  0.87 ATOM 787 S G6S 202    1.692 12.947    0.560 1.00  0.84 ATOM 788 O1S G6S 202    2.743 13.992    0.551 1.00  0.00 ATOM 789 O2S G6S 202    2.056 11.920  −0.446 1.00  0.46 ATOM 790 O6 G6S 202    1.568 12.213    2.048 1.00  0.15 ATOM 791 C6 G6S 202    2.509 11.226    2.527 1.00  0.76 ATOM 792 C5 G6S 202    3.154 11.525    3.905 1.00  0.20 ATOM 793 O5 G6S 202    2.710 12.762    4.508 1.00  0.47 ATOM 794 C4 G6S 202    4.704 11.422    3.901 1.00  0.65 ATOM 795 O4 G6S 202    5.144 10.447    2.925 1.00  0.12 ATOM 796 C3 G6S 202    5.498 12.749    3.721 1.00  0.92 ATOM 797 O3 G6S 202    5.997 12.885    2.375 1.00  0.71 ATOM 798 C2 G6S 202    4.758 14.031    4.163 1.00  0.85 ATOM 799 O2 G6S 202    5.303 15.204    3.529 1.00  0.58 ATOM 800 Cl G6S 202    3.250 13.956    3.923 1.00  0.56 ATOM 801 O1 G6S 202    2.611 15.091    4.502 1.00  0.12 ATOM 802 N ASN 164    8.802 26.590    6.917 1.00 33.87 ATOM 803 CA ASN 164    8.479 25.672    5.830 1.00 34.28 ATOM 804 CB ASN 164    7.383 24.655    6.231 1.00 32.50 ATOM 805 CG ASN 164    7.827 23.673    7.325 1.00 32.82 ATOM 806 OD1 ASN 164    9.016 23.590    7.685 1.00 30.94 ATOM 807 ND2 ASN 164    6.852 22.923    7.862 1.00 29.12 ATOM 808 C ASN 164    8.121 26.320    4.469 1.00 34.97 ATOM 809 O ASN 164    7.603 25.637    3.594 1.00 35.11 ATOM 810 O6 GDQ 201   39.880 25.293  −6.152 1.00 46.27 ATOM 811 C6 GDQ 201   39.593 23.968  −5.959 1.00 47.77 ATOM 812 N1 GDQ 201   39.601 23.364  −4.728 1.00 47.90 ATOM 813 C5 GDQ 201   39.301 23.178  −7.050 1.00 48.17 ATOM 814 C7 GDQ 201   39.166 23.330  −8.414 1.00 49.49 ATOM 815 C77 GDQ 201   39.375 24.484  −9.040 1.00 48.63 ATOM 816 N77 GDQ 201   39.668 25.525  −9.571 1.00 53.62 ATOM 817 C8 GDQ 201   38.829 22.148  −9.069 1.00 47.67 ATOM 818 N9 GDQ 201   38.739 21.226  −8.070 1.00 46.70 ATOM 819 C4 GDQ 201   39.015 21.838  −6.880 1.00 47.89 ATOM 820 N3 GDQ 201   39.029 21.264  −5.651 1.00 47.83 ATOM 821 C2 GDQ 201   39.318 22.021  −4.572 1.00 48.19 ATOM 822 N2 GDQ 201   39.322 21.396  −3.361 1.00 46.97 ATOM 823 N ASN 164   22.549 28.669  −4.503 1.00 35.87 ATOM 824 CA ASN 164   23.118 28.694  −5.850 1.00 37.23 ATOM 825 CB ASN 164   23.262 27.279  −6.439 1.00 36.18 ATOM 826 CG ASN 164   24.431 26.534  −5.820 1.00 38.54 ATOM 827 OD1 ASN 164   25.175 27.109  −4.993 1.00 35.02 ATOM 828 ND2 ASN 164   24.601 25.253  −6.191 1.00 36.60 ATOM 829 C ASN 164   22.419 29.671  −6.794 1.00 37.19 ATOM 830 O ASN 164   22.632 29.654  −7.995 1.00 37.79 ATOM 831 O6 GDQ 201   41.711 55.587    1.265 1.00 47.86 ATOM 832 C6 GDQ 201   42.655 54.798    0.686 1.00 49.13 ATOM 833 N1 GDQ 201   43.162 53.755    1.386 1.00 48.48 ATOM 834 C5 GDQ 201   43.114 55.030  −0.629 1.00 50.29 ATOM 835 C7 GDQ 201   42.895 55.934  −1.676 1.00 49.19 ATOM 836 C77 GDQ 201   42.018 56.941  −1.586 1.00 49.79 ATOM 837 N77 GDQ 201   41.272 57.892  −1.409 1.00 52.99 ATOM 838 C8 GDQ 201   43.665 55.676  −2.796 1.00 48.54 ATOM 839 N9 GDQ 201   44.390 54.565  −2.444 1.00 49.38 ATOM 840 C4 GDQ 201   44.083 54.188  −1.156 1.00 49.87 ATOM 841 N3 GDQ 201   44.571 53.140  −0.425 1.00 49.70 ATOM 842 C2 GDQ 201   44.090 52.944    0.845 1.00 48.62 ATOM 843 N2 GDQ 201   44.543 51.925    1.604 1.00 49.10 ATOM 844 O HOH  7    9.135 31.427   40.622 1.00 26.97 ATOM 845 O HOH  16    2.116 33.380   23.561 1.00 28.45 ATOM 846 O HOH  22    5.725 20.960   12.801 1.00 32.23 ATOM 847 O HOH  43  −0.444 31.320   20.334 1.00 25.27 ATOM 848 O HOH  45    8.832 30.704   43.657 1.00 34.80 ATOM 849 O HOH  58    5.315 32.277   33.211 1.00 32.17 ATOM 850 O HOH  59    6.261 31.224   16.269 1.00 31.40 ATOM 851 O HOH  60   13.459 31.592   25.962 1.00 30.16 ATOM 852 O HOH  67    0.659 25.252   24.982 1.00 47.03 ATOM 853 O HOH  77    3.601 20.333   32.769 1.00 51.59 ATOM 854 O HOH  80   12.551 37.938   21.807 1.00 27.25 ATOM 855 O HOH  87   10.805 31.014   15.075 1.00 32.69 ATOM 856 O HOH  99    0.444 24.737   37.523 1.00 49.59 ATOM 857 O HOH 112  −5.998 32.041   25.975 1.00 53.31 ATOM 858 O HOH 130   12.471 33.518   21.473 1.00 37.86 ATOM 859 O HOH 146    2.212 26.772   14.171 1.00 34.34 ATOM 860 O HOH 164   16.560 23.554   19.744 1.00 30.02 ATOM 861 O HOH 165    6.514 15.445   32.058 1.00 40.48 ATOM 862 O HOH 169    6.036 24.653   33.818 1.00 57.02 ATOM 863 O HOH 187  −0.110 31.485   22.841 1.00 46.21 ATOM 864 O HOH 197  −5.204 37.964   26.824 1.00 40.46 ATOM 865 O HOH 203  −0.892 23.472   32.034 1.00 35.99 ATOM 866 O HOH 223  −7.059 18.630   27.537 1.00 44.78 ATOM 867 O HOH 239  −8.523 26.976   36.532 1.00 63.57 ATOM 868 O HOH 250    8.142 29.477   12.219 1.00 43.13 ATOM 869 N TYR 158   14.553 51.970 −15.813 1.00 64.09 ATOM 870 CA TYR 158   15.385 51.348 −14.747 1.00 65.51 ATOM 871 CB TYR 158   15.471 49.830 −14.932 1.00 66.55 ATOM 872 CG TYR 158   14.250 49.084 −14.493 1.00 69.02 ATOM 873 CD1 TYR 158   14.255 48.354 −13.301 1.00 72.73 ATOM 874 CE1 TYR 158   13.107 47.659 −12.875 1.00 72.44 ATOM 875 CZ TYR 158   11.945 47.700 −13.660 1.00 70.37 ATOM 876 OH TYR 158   10.814 47.029 −13.241 1.00 69.24 ATOM 877 CE2 TYR 158   11.931 48.421 −14.843 1.00 70.14 ATOM 878 CD2 TYR 158   13.080 49.103 −15.254 1.00 69.89 ATOM 879 C TYR 158   16.821 51.897 −14.690 1.00 65.48 ATOM 880 O TYR 158   17.741 51.280 −15.255 1.00 65.62 ATOM 881 O3S G6S 202   53.558 50.380 −15.824 1.00  0.80 ATOM 882 S G6S 202   52.441 49.420 −15.564 1.00  0.32 ATOM 883 O1S G6S 202   51.398 50.093 −14.748 1.00  0.47 ATOM 884 O2S G6S 202   52.923 48.246 −14.787 1.00  0.44 ATOM 885 O6 G6S 202   51.799 48.904 −17.004 1.00  0.52 ATOM 886 C6 G6S 202   51.924 49.575 −18.273 1.00  0.05 ATOM 887 C5 G6S 202   50.558 49.948 −18.902 1.00  0.81 ATOM 888 O5 G6S 202   50.235 51.331 −18.643 1.00  0.85 ATOM 889 C4 G6S 202   49.339 49.014 −18.623 1.00  0.89 ATOM 890 O4 G6S 202   49.690 47.679 −18.220 1.00 99.16 ATOM 891 C3 G6S 202   48.264 49.536 −17.650 1.00 99.15 ATOM 892 O3 G6S 202   47.953 48.529 −16.675 1.00 96.07 ATOM 893 C2 G6S 202   48.477 50.927 −17.001 1.00 99.78 ATOM 894 O2 G6S 202   48.212 50.895 −15.588 1.00 97.61 ATOM 895 C1 G6S 202   49.828 51.591 −17.293 1.00  0.22 ATOM 896 O1 G6S 202   49.719 53.004 −17.090 1.00  0.17 ATOM 897 O HOH  82    1.115 35.104   10.368 1.00 38.48 ATOM 898 O HOH 233    3.922 25.061    8.070 1.00 44.46 ATOM 899 O HOH 243    4.102 29.321    8.205 1.00 32.22 ATOM 900 O HOH 247    2.185 28.151    7.604 1.00 38.90 TER

TABLE 2 REMARK Accelrys ViewerPro PDB file REMARK Created: Tue Dec 14 10:09:27 Pacific Standard Time 2010 ATOM 1 N VAL 30 2.730 7.158 20.809 1.00 39.88 ATOM 2 CA VAL 30 3.057 7.082 19.373 1.00 38.85 ATOM 3 CB VAL 30 2.234 8.031 18.461 1.00 38.91 ATOM 4 CG1 VAL 30 2.470 9.486 18.798 1.00 37.59 ATOM 5 CG2 VAL 30 0.767 7.685 18.552 1.00 39.29 ATOM 6 C VAL 30 4.524 7.208 19.055 1.00 38.01 ATOM 7 O VAL 30 4.937 6.813 17.968 1.00 39.15 ATOM 8 N LEU 31 5.315 7.719 19.997 1.00 36.59 ATOM 9 CA LEU 31 6.746 7.915 19.767 1.00 36.17 ATOM 10 CB LEU 31 7.397 8.697 20.893 1.00 36.01 ATOM 11 CG LEU 31 7.004 10.142 21.071 1.00 33.94 ATOM 12 CD1 LEU 31 7.514 10.616 22.392 1.00 31.75 ATOM 13 CD2 LEU 31 7.636 10.950 19.947 1.00 31.12 ATOM 14 C LEU 31 7.514 6.628 19.583 1.00 36.98 ATOM 15 O LEU 31 7.290 5.639 20.305 1.00 36.75 ATOM 16 N GLU 32 8.444 6.648 18.644 1.00 36.41 ATOM 17 CA GLU 32 9.228 5.472 18.372 1.00 38.40 ATOM 18 CB GLU 32 8.708 4.786 17.114 1.00 39.11 ATOM 19 CG GLU 32 7.200 4.749 17.161 1.00 45.28 ATOM 20 CD GLU 32 6.609 3.553 16.498 1.00 53.25 ATOM 21 OE1 GLU 32 5.790 2.845 17.156 1.00 55.01 ATOM 22 OE2 GLU 32 6.970 3.340 15.307 1.00 57.83 ATOM 23 C GLU 32 10.667 5.854 18.228 1.00 38.80 ATOM 24 O GLU 32 10.999 7.040 17.961 1.00 38.77 ATOM 25 N SER 33 11.544 4.882 18.418 1.00 38.22 ATOM 26 CA SER 33 12.947 5.190 18.229 1.00 38.82 ATOM 27 CB SER 33 13.687 5.359 19.560 1.00 39.38 ATOM 28 OG SER 33 13.593 4.189 20.326 1.00 41.14 ATOM 29 C SER 33 13.636 4.162 17.394 1.00 38.71 ATOM 30 O SER 33 13.044 3.196 17.003 1.00 38.26 ATOM 31 N PHE 34 14.902 4.406 17.097 1.00 39.12 ATOM 32 CA PHE 34 15.677 3.442 16.394 1.00 40.33 ATOM 33 CB PHE 34 15.529 3.547 14.853 1.00 40.48 ATOM 34 CG PHE 34 15.877 4.898 14.270 1.00 40.30 ATOM 35 CD1 PHE 34 14.886 5.852 14.066 1.00 41.74 ATOM 36 CE1 PHE 34 15.206 7.116 13.494 1.00 43.82 ATOM 37 CZ PHE 34 16.541 7.417 13.127 1.00 41.69 ATOM 38 CE2 PHE 34 17.536 6.460 13.325 1.00 42.27 ATOM 39 CD2 PHE 34 17.190 5.192 13.873 1.00 40.34 ATOM 40 C PHE 34 17.079 3.626 16.898 1.00 41.15 ATOM 41 O PHE 34 17.399 4.682 17.484 1.00 42.09 ATOM 42 N PRO 35 17.899 2.571 16.771 1.00 41.12 ATOM 43 CA PRO 35 19.294 2.614 17.218 1.00 40.34 ATOM 44 CB PRO 35 19.829 1.235 16.780 1.00 40.97 ATOM 45 CG PRO 35 18.588 0.349 16.878 1.00 40.63 ATOM 46 CD PRO 35 17.520 1.222 16.287 1.00 40.98 ATOM 47 C PRO 35 20.132 3.751 16.636 1.00 39.57 ATOM 48 O PRO 35 20.001 4.100 15.474 1.00 39.66 ATOM 49 N ASN 36 20.981 4.325 17.476 1.00 38.69 ATOM 50 CA ASN 36 22.053 5.178 17.036 1.00 37.82 ATOM 51 CB ASN 36 22.457 6.053 18.200 1.00 36.54 ATOM 52 CG ASN 36 23.478 7.104 17.852 1.00 34.98 ATOM 53 OD1 ASN 36 23.995 7.781 18.752 1.00 36.05 ATOM 54 ND2 ASN 36 23.798 7.255 16.591 1.00 30.63 ATOM 55 C ASN 36 23.204 4.264 16.545 1.00 39.04 ATOM 56 O ASN 36 23.688 3.361 17.239 1.00 38.06 ATOM 57 N LYS 37 23.679 4.562 15.345 1.00 39.82 ATOM 58 CA LYS 37 24.559 3.712 14.611 1.00 40.00 ATOM 59 CB LYS 37 24.051 3.740 13.180 1.00 41.30 ATOM 60 CG LYS 37 24.578 2.689 12.235 1.00 48.42 ATOM 61 CD LYS 37 23.628 2.551 11.016 1.00 55.23 ATOM 62 CE LYS 37 22.384 1.698 11.343 1.00 57.91 ATOM 63 NZ LYS 37 21.337 2.463 12.101 1.00 61.73 ATOM 64 C LYS 37 25.919 4.338 14.738 1.00 39.47 ATOM 65 O LYS 37 26.914 3.783 14.283 1.00 39.65 ATOM 66 N HIS 38 25.949 5.508 15.378 1.00 38.34 ATOM 67 CA HIS 38 27.143 6.288 15.573 1.00 37.56 ATOM 68 CB HIS 38 27.129 7.481 14.587 1.00 37.47 ATOM 69 CG HIS 38 27.098 7.045 13.152 1.00 37.11 ATOM 70 ND1 HIS 38 28.220 6.564 12.500 1.00 36.48 ATOM 71 CE1 HIS 38 27.889 6.195 11.277 1.00 36.22 ATOM 72 NE2 HIS 38 26.587 6.393 11.120 1.00 38.61 ATOM 73 CD2 HIS 38 26.067 6.902 12.286 1.00 34.88 ATOM 74 C HIS 38 27.333 6.718 17.029 1.00 38.03 ATOM 75 O HIS 38 27.654 7.863 17.295 1.00 37.92 ATOM 76 N VAL 39 27.183 5.767 17.962 1.00 40.02 ATOM 77 CA VAL 39 27.302 5.991 19.417 1.00 40.94 ATOM 78 CB VAL 39 26.980 4.723 20.244 1.00 42.63 ATOM 79 CG1 VAL 39 25.562 4.228 19.958 1.00 42.51 ATOM 80 CG2 VAL 39 28.029 3.580 19.967 1.00 42.25 ATOM 81 C VAL 39 28.634 6.554 19.879 1.00 41.41 ATOM 82 O VAL 39 28.693 7.225 20.872 1.00 41.00 ATOM 83 N ARG 41 30.495 9.017 18.601 1.00 45.41 ATOM 84 CA ARG 41 30.667 10.477 18.643 1.00 43.05 ATOM 85 CB ARG 41 31.097 11.088 17.289 1.00 45.18 ATOM 86 CG ARG 41 29.996 11.161 16.204 1.00 46.63 ATOM 87 CD ARG 41 29.907 9.832 15.545 1.00 53.21 ATOM 88 NE ARG 41 30.339 9.818 14.138 1.00 60.30 ATOM 89 CZ ARG 41 31.534 10.165 13.650 1.00 60.36 ATOM 90 NH1 ARG 41 32.515 10.646 14.423 1.00 58.35 ATOM 91 NH2 ARG 41 31.708 10.068 12.338 1.00 60.11 ATOM 92 C ARG 41 29.428 11.151 19.135 1.00 41.03 ATOM 93 O ARG 41 28.302 10.616 19.031 1.00 39.70 ATOM 94 N ASP 42 29.672 12.322 19.719 1.00 38.00 ATOM 95 CA ASP 42 28.643 13.282 20.060 1.00 35.16 ATOM 96 CB ASP 42 29.220 14.249 21.075 1.00 34.84 ATOM 97 CG ASP 42 29.166 13.696 22.483 1.00 36.63 ATOM 98 OD1 ASP 42 28.668 12.558 22.613 1.00 31.87 ATOM 99 OD2 ASP 42 29.594 14.414 23.438 1.00 37.57 ATOM 100 C ASP 42 28.279 14.058 18.803 1.00 33.84 ATOM 101 O ASP 42 29.154 14.636 18.175 1.00 33.55 ATOM 102 N TYR 43 27.012 14.056 18.416 1.00 31.87 ATOM 103 CA TYR 43 26.544 14.944 17.358 1.00 30.89 ATOM 104 CB TYR 43 26.630 14.285 15.970 1.00 29.12 ATOM 105 CG TYR 43 25.766 13.057 15.831 1.00 29.86 ATOM 106 CD1 TYR 43 26.207 11.792 16.290 1.00 29.44 ATOM 107 CE1 TYR 43 25.413 10.668 16.166 1.00 27.88 ATOM 108 CZ TYR 43 24.158 10.775 15.603 1.00 27.82 ATOM 109 OH TYR 43 23.338 9.655 15.447 1.00 28.72 ATOM 110 CE2 TYR 43 23.699 11.999 15.175 1.00 25.62 ATOM 111 CD2 TYR 43 24.516 13.139 15.281 1.00 25.63 ATOM 112 C TYR 43 25.108 15.325 17.717 1.00 30.53 ATOM 113 O TYR 43 24.488 14.636 18.525 1.00 29.48 ATOM 114 N PHE 44 24.635 16.416 17.093 1.00 29.37 ATOM 115 CA PHE 44 23.390 17.140 17.385 1.00 28.32 ATOM 116 CB PHE 44 23.675 18.667 17.406 1.00 28.58 ATOM 117 CG PHE 44 23.566 19.326 18.786 1.00 24.77 ATOM 118 CD1 PHE 44 24.650 20.032 19.326 1.00 26.77 ATOM 119 CE1 PHE 44 24.533 20.714 20.593 1.00 20.65 ATOM 120 CZ PHE 44 23.334 20.665 21.282 1.00 24.87 ATOM 121 CE2 PHE 44 22.251 19.920 20.774 1.00 21.14 ATOM 122 CD2 PHE 44 22.380 19.293 19.489 1.00 21.59 ATOM 123 C PHE 44 22.419 16.876 16.281 1.00 28.43 ATOM 124 O PHE 44 22.799 16.807 15.106 1.00 28.39 ATOM 125 N VAL 45 21.164 16.684 16.663 1.00 28.52 ATOM 126 CA VAL 45 20.098 16.490 15.736 1.00 29.08 ATOM 127 CB VAL 45 19.430 15.109 15.823 1.00 29.44 ATOM 128 CG1 VAL 45 20.433 13.942 15.682 1.00 28.43 ATOM 129 CG2 VAL 45 18.400 15.010 14.704 1.00 29.46 ATOM 130 C VAL 45 19.067 17.544 16.084 1.00 29.28 ATOM 131 O VAL 45 18.660 17.622 17.247 1.00 28.86 ATOM 132 N LYS 46 18.626 18.344 15.095 1.00 28.21 ATOM 133 CA LYS 46 17.560 19.364 15.343 1.00 27.33 ATOM 134 CB LYS 46 18.039 20.788 15.009 1.00 26.71 ATOM 135 CG LYS 46 16.993 21.890 15.301 1.00 28.68 ATOM 136 CD LYS 46 17.108 23.041 14.364 1.00 29.59 ATOM 137 CE LYS 46 18.101 24.025 14.801 1.00 35.72 ATOM 138 NZ LYS 46 18.767 24.737 13.550 1.00 33.53 ATOM 139 C LYS 46 16.302 19.057 14.565 1.00 26.64 ATOM 140 O LYS 46 16.376 18.817 13.399 1.00 26.42 ATOM 141 N PHE 47 15.146 19.105 15.209 1.00 27.04 ATOM 142 CA PHE 47 13.869 19.117 14.514 1.00 26.96 ATOM 143 CB PHE 47 12.895 18.179 15.158 1.00 27.29 ATOM 144 CG PHE 47 13.386 16.819 15.167 1.00 32.14 ATOM 145 CD1 PHE 47 14.281 16.400 16.147 1.00 32.34 ATOM 146 CE1 PHE 47 14.802 15.100 16.093 1.00 34.46 ATOM 147 CZ PHE 47 14.418 14.230 15.091 1.00 33.35 ATOM 148 CE2 PHE 47 13.527 14.630 14.125 1.00 35.35 ATOM 149 CD2 PHE 47 13.022 15.934 14.155 1.00 35.90 ATOM 150 C PHE 47 13.298 20.518 14.521 1.00 26.50 ATOM 151 O PHE 47 13.175 21.143 15.586 1.00 25.24 ATOM 152 N ASN 48 12.925 20.988 13.326 1.00 26.57 ATOM 153 CA ASN 48 12.216 22.271 13.191 1.00 26.60 ATOM 154 CB ASN 48 12.729 23.062 11.972 1.00 26.14 ATOM 155 CG ASN 48 14.185 23.276 12.012 1.00 23.57 ATOM 156 OD1 ASN 48 14.689 23.874 12.944 1.00 28.74 ATOM 157 ND2 ASN 48 14.898 22.780 11.025 1.00 24.59 ATOM 158 C ASN 48 10.759 21.965 13.071 1.00 26.71 ATOM 159 O ASN 48 10.367 21.265 12.153 1.00 26.51 ATOM 160 N CYS 49 9.937 22.501 13.980 1.00 27.64 ATOM 161 CA CYS 49 8.530 22.095 14.036 1.00 28.17 ATOM 162 CB CYS 49 8.263 21.281 15.311 1.00 28.79 ATOM 163 SG CYS 49 9.439 19.944 15.608 1.00 32.41 ATOM 164 C CYS 49 7.620 23.317 14.012 1.00 28.06 ATOM 165 O CYS 49 7.183 23.740 15.046 1.00 26.43 ATOM 166 N PRO 50 7.371 23.909 12.810 1.00 28.99 ATOM 167 CA PRO 50 6.627 25.176 12.676 1.00 29.58 ATOM 168 CB PRO 50 7.035 25.698 11.271 1.00 29.17 ATOM 169 CG PRO 50 7.856 24.653 10.687 1.00 29.81 ATOM 170 CD PRO 50 7.877 23.434 11.507 1.00 28.43 ATOM 171 C PRO 50 5.129 25.037 12.734 1.00 29.99 ATOM 172 O PRO 50 4.437 26.042 12.772 1.00 31.25 ATOM 173 N GLU 51 4.638 23.818 12.762 1.00 30.28 ATOM 174 CA GLU 51 3.222 23.566 12.687 1.00 31.01 ATOM 175 CB GLU 51 2.970 22.532 11.618 1.00 31.20 ATOM 176 CG GLU 51 3.336 23.048 10.233 1.00 31.72 ATOM 177 CD GLU 51 3.202 21.987 9.152 1.00 39.70 ATOM 178 OE1 GLU 51 2.737 20.845 9.483 1.00 41.03 ATOM 179 OE2 GLU 51 3.580 22.291 7.977 1.00 39.79 ATOM 180 C GLU 51 2.573 23.169 13.992 1.00 30.89 ATOM 181 O GLU 51 1.545 22.525 14.014 1.00 32.20 ATOM 182 N ILE 67 8.450 25.060 17.283 1.00 26.09 ATOM 183 CA ILE 67 9.262 24.400 18.320 1.00 25.88 ATOM 184 CB ILE 67 8.491 23.211 18.964 1.00 27.19 ATOM 185 CG1 ILE 67 7.221 23.695 19.674 1.00 26.17 ATOM 186 CD1 ILE 67 6.369 22.525 19.940 1.00 28.34 ATOM 187 CG2 ILE 67 9.313 22.553 20.046 1.00 27.68 ATOM 188 C ILE 67 10.535 23.870 17.713 1.00 25.12 ATOM 189 O ILE 67 10.509 23.231 16.655 1.00 23.17 ATOM 190 N TYR 68 11.657 24.191 18.347 1.00 25.62 ATOM 191 CA TYR 68 12.994 23.673 17.937 1.00 25.42 ATOM 192 CB TYR 68 14.002 24.810 17.833 1.00 24.80 ATOM 193 CG TYR 68 13.560 25.871 16.820 1.00 28.39 ATOM 194 CD1 TYR 68 12.891 27.021 17.249 1.00 23.93 ATOM 195 CE1 TYR 68 12.443 27.960 16.360 1.00 29.14 ATOM 196 CZ TYR 68 12.674 27.784 14.974 1.00 31.13 ATOM 197 OH TYR 68 12.240 28.772 14.091 1.00 29.59 ATOM 198 CE2 TYR 68 13.322 26.650 14.515 1.00 30.72 ATOM 199 CD2 TYR 68 13.781 25.700 15.440 1.00 25.51 ATOM 200 C TYR 68 13.488 22.631 18.946 1.00 25.82 ATOM 201 O TYR 68 13.677 22.958 20.107 1.00 26.19 ATOM 202 N ILE 69 13.727 21.399 18.507 1.00 25.80 ATOM 203 CA ILE 69 14.164 20.366 19.438 1.00 26.12 ATOM 204 CB ILE 69 13.192 19.155 19.435 1.00 25.81 ATOM 205 CG1 ILE 69 11.800 19.560 19.904 1.00 25.28 ATOM 206 CD1 ILE 69 10.647 18.610 19.326 1.00 25.09 ATOM 207 CG2 ILE 69 13.669 18.025 20.326 1.00 24.45 ATOM 208 C ILE 69 15.537 19.970 18.980 1.00 27.18 ATOM 209 O ILE 69 15.711 19.595 17.839 1.00 29.73 ATOM 210 N SER 70 16.530 20.095 19.844 1.00 27.73 ATOM 211 CA SER 70 17.873 19.772 19.497 1.00 28.67 ATOM 212 CB SER 70 18.704 21.025 19.410 1.00 29.42 ATOM 213 OG SER 70 18.208 21.886 18.396 1.00 34.23 ATOM 214 C SER 70 18.380 18.851 20.597 1.00 29.55 ATOM 215 O SER 70 18.217 19.157 21.798 1.00 29.82 ATOM 216 N TYR 71 18.932 17.697 20.198 1.00 29.35 ATOM 217 CA TYR 71 19.378 16.734 21.168 1.00 27.96 ATOM 218 CB TYR 71 18.269 15.743 21.482 1.00 27.91 ATOM 219 CG TYR 71 18.063 14.619 20.507 1.00 28.69 ATOM 220 CD1 TYR 71 17.414 14.814 19.280 1.00 29.56 ATOM 221 CE1 TYR 71 17.218 13.737 18.375 1.00 27.79 ATOM 222 CZ TYR 71 17.658 12.490 18.722 1.00 29.89 ATOM 223 OH TYR 71 17.486 11.417 17.869 1.00 28.88 ATOM 224 CE2 TYR 71 18.301 12.290 19.944 1.00 27.21 ATOM 225 CD2 TYR 71 18.498 13.353 20.809 1.00 28.69 ATOM 226 C TYR 71 20.606 16.047 20.662 1.00 28.99 ATOM 227 O TYR 71 20.816 15.999 19.436 1.00 28.16 ATOM 228 N ILE 72 21.403 15.512 21.608 1.00 28.15 ATOM 229 CA ILE 72 22.527 14.632 21.330 1.00 27.77 ATOM 230 CB ILE 72 23.778 15.117 22.058 1.00 28.36 ATOM 231 CG1 ILE 72 24.037 16.580 21.681 1.00 25.91 ATOM 232 CD1 ILE 72 25.211 17.194 22.264 1.00 25.97 ATOM 233 CG2 ILE 72 24.916 14.148 21.853 1.00 27.34 ATOM 234 C ILE 72 22.189 13.242 21.817 1.00 29.26 ATOM 235 O ILE 72 21.985 13.031 23.023 1.00 28.17 ATOM 236 N PRO 73 22.096 12.298 20.879 1.00 30.21 ATOM 237 CA PRO 73 21.661 10.945 21.158 1.00 31.77 ATOM 238 CB PRO 73 21.523 10.285 19.763 1.00 31.45 ATOM 239 CG PRO 73 21.822 11.320 18.777 1.00 31.27 ATOM 240 CD PRO 73 22.440 12.493 19.457 1.00 30.65 ATOM 241 C PRO 73 22.696 10.182 21.950 1.00 32.63 ATOM 242 O PRO 73 23.932 10.405 21.813 1.00 31.96 ATOM 243 N ASP 74 22.189 9.281 22.780 1.00 34.84 ATOM 244 CA ASP 74 23.064 8.276 23.347 1.00 37.48 ATOM 245 CB ASP 74 22.806 7.968 24.831 1.00 37.93 ATOM 246 CG ASP 74 23.936 7.070 25.457 1.00 42.79 ATOM 247 OD1 ASP 74 24.844 6.568 24.731 1.00 42.65 ATOM 248 OD2 ASP 74 23.910 6.873 26.697 1.00 49.88 ATOM 249 C ASP 74 22.919 7.059 22.460 1.00 37.65 ATOM 250 O ASP 74 23.629 6.951 21.488 1.00 38.69 ATOM 251 N GLU 75 21.995 6.165 22.745 1.00 38.85 ATOM 252 CA GLU 75 21.892 4.942 21.950 1.00 40.70 ATOM 253 CB GLU 75 21.909 3.714 22.867 1.00 40.16 ATOM 254 CG GLU 75 23.314 3.449 23.408 1.00 44.92 ATOM 255 CD GLU 75 23.357 2.511 24.640 1.00 46.78 ATOM 256 OE1 GLU 75 22.296 2.321 25.319 1.00 54.36 ATOM 257 OE2 GLU 75 24.472 1.979 24.927 1.00 54.45 ATOM 258 C GLU 75 20.649 4.897 21.111 1.00 39.36 ATOM 259 O GLU 75 20.529 4.080 20.235 1.00 38.59 ATOM 260 N LYS 76 19.697 5.764 21.400 1.00 40.19 ATOM 261 CA LYS 76 18.416 5.703 20.702 1.00 40.59 ATOM 262 CB LYS 76 17.306 5.329 21.669 1.00 40.27 ATOM 263 CG LYS 76 17.579 4.062 22.379 1.00 41.53 ATOM 264 CD LYS 76 16.310 3.496 22.950 1.00 48.56 ATOM 265 CE LYS 76 16.606 2.336 23.891 1.00 50.36 ATOM 266 NZ LYS 76 15.543 2.252 24.940 1.00 53.45 ATOM 267 C LYS 76 18.130 7.041 20.037 1.00 39.88 ATOM 268 O LYS 76 18.556 8.076 20.541 1.00 39.23 ATOM 269 N MET 77 17.423 6.985 18.903 1.00 39.37 ATOM 270 CA MET 77 17.086 8.162 18.110 1.00 39.16 ATOM 271 CB MET 77 17.740 8.031 16.792 1.00 39.27 ATOM 272 CG MET 77 18.609 9.189 16.485 1.00 44.87 ATOM 273 SD MET 77 20.263 8.615 16.645 1.00 47.51 ATOM 274 CE MET 77 20.467 8.068 14.957 1.00 48.97 ATOM 275 C MET 77 15.599 8.184 17.897 1.00 37.73 ATOM 276 O MET 77 15.023 7.150 17.709 1.00 38.50 ATOM 277 N VAL 78 14.951 9.338 17.949 1.00 36.61 ATOM 278 CA VAL 78 13.497 9.377 17.676 1.00 35.17 ATOM 279 CB VAL 78 12.739 10.540 18.393 1.00 36.02 ATOM 280 CG1 VAL 78 13.302 11.919 18.008 1.00 36.14 ATOM 281 CG2 VAL 78 11.229 10.482 18.121 1.00 33.46 ATOM 282 C VAL 78 13.222 9.379 16.168 1.00 35.32 ATOM 283 O VAL 78 13.955 9.990 15.372 1.00 33.32 ATOM 284 N GLU 79 12.148 8.688 15.805 1.00 35.31 ATOM 285 CA GLU 79 11.756 8.567 14.440 1.00 35.07 ATOM 286 CB GLU 79 11.061 7.215 14.250 1.00 35.69 ATOM 287 CG GLU 79 10.883 6.837 12.764 1.00 40.72 ATOM 288 CD GLU 79 9.675 7.492 12.125 1.00 45.36 ATOM 289 OE1 GLU 79 8.556 7.333 12.684 1.00 47.59 ATOM 290 OE2 GLU 79 9.844 8.153 11.060 1.00 47.64 ATOM 291 C GLU 79 10.847 9.756 14.132 1.00 33.69 ATOM 292 O GLU 79 9.898 10.008 14.853 1.00 31.63 ATOM 293 N SER 80 11.172 10.492 13.064 1.00 33.31 ATOM 294 CA SER 80 10.411 11.664 12.599 1.00 33.28 ATOM 295 CB SER 80 10.840 12.005 11.210 1.00 33.95 ATOM 296 OG SER 80 12.232 12.182 11.237 1.00 40.59 ATOM 297 C SER 80 8.918 11.592 12.513 1.00 33.46 ATOM 298 O SER 80 8.229 12.506 13.010 1.00 33.68 ATOM 299 N LYS 81 8.407 10.565 11.814 1.00 33.65 ATOM 300 CA LYS 81 6.991 10.458 11.624 1.00 34.76 ATOM 301 CB LYS 81 6.625 9.300 10.717 1.00 35.65 ATOM 302 CG LYS 81 5.064 9.048 10.586 1.00 39.18 ATOM 303 CD LYS 81 4.755 7.840 9.678 1.00 39.66 ATOM 304 CE LYS 81 5.604 7.895 8.332 1.00 48.39 ATOM 305 NZ LYS 81 5.467 6.699 7.349 1.00 47.55 ATOM 306 C LYS 81 6.338 10.291 12.972 1.00 33.64 ATOM 307 O LYS 81 5.253 10.843 13.196 1.00 33.95 ATOM 308 N SER 82 7.000 9.553 13.881 1.00 32.20 ATOM 309 CA SER 82 6.409 9.355 15.201 1.00 30.55 ATOM 310 CB SER 82 7.069 8.204 15.986 1.00 30.70 ATOM 311 OG SER 82 8.379 8.507 16.454 1.00 29.50 ATOM 312 C SER 82 6.400 10.668 15.992 1.00 29.19 ATOM 313 O SER 82 5.438 10.987 16.681 1.00 27.98 ATOM 314 N LEU 83 7.470 11.425 15.877 1.00 28.73 ATOM 315 CA LEU 83 7.485 12.755 16.451 1.00 29.29 ATOM 316 CB LEU 83 8.880 13.372 16.227 1.00 30.66 ATOM 317 CG LEU 83 8.823 14.764 16.853 1.00 28.90 ATOM 318 CD1 LEU 83 8.651 14.650 18.377 1.00 26.97 ATOM 319 CD2 LEU 83 10.032 15.521 16.451 1.00 25.69 ATOM 320 C LEU 83 6.331 13.656 15.893 1.00 29.47 ATOM 321 O LEU 83 5.555 14.263 16.669 1.00 28.25 ATOM 322 N LYS 84 6.144 13.657 14.563 1.00 29.53 ATOM 323 CA LYS 84 5.027 14.392 13.981 1.00 29.62 ATOM 324 CB LYS 84 5.065 14.320 12.452 1.00 30.52 ATOM 325 CG LYS 84 3.756 14.693 11.746 1.00 33.47 ATOM 326 CD LYS 84 3.702 14.115 10.337 1.00 38.12 ATOM 327 CE LYS 84 2.966 12.798 10.340 1.00 42.09 ATOM 328 NZ LYS 84 2.748 12.320 8.952 1.00 45.75 ATOM 329 C LYS 84 3.657 13.995 14.540 1.00 29.83 ATOM 330 O LYS 84 2.830 14.844 14.899 1.00 28.57 ATOM 331 N LEU 85 3.392 12.701 14.621 1.00 30.73 ATOM 332 CA LEU 85 2.080 12.277 15.187 1.00 31.39 ATOM 333 CB LEU 85 1.865 10.780 15.005 1.00 32.27 ATOM 334 CG LEU 85 2.045 10.305 13.579 1.00 34.28 ATOM 335 CD1 LEU 85 2.180 8.766 13.544 1.00 36.91 ATOM 336 CD2 LEU 85 0.800 10.842 12.846 1.00 35.13 ATOM 337 C LEU 85 1.974 12.629 16.665 1.00 30.61 ATOM 338 O LEU 85 0.910 13.001 17.183 1.00 31.60 ATOM 339 N LEU 108 10.416 12.939 25.558 1.00 29.21 ATOM 340 CA LEU 108 11.547 12.485 24.710 1.00 29.45 ATOM 341 CB LEU 108 12.008 13.582 23.719 1.00 27.71 ATOM 342 CG LEU 108 11.033 14.016 22.592 1.00 28.91 ATOM 343 CD1 LEU 108 11.304 15.414 22.065 1.00 25.44 ATOM 344 CD2 LEU 108 11.048 12.984 21.486 1.00 27.35 ATOM 345 C LEU 108 12.761 11.949 25.488 1.00 29.54 ATOM 346 O LEU 108 13.485 11.090 25.003 1.00 29.35 ATOM 347 N ILE 109 13.026 12.506 26.656 1.00 31.05 ATOM 348 CA ILE 109 14.003 11.891 27.612 1.00 31.94 ATOM 349 CB ILE 109 14.168 12.751 28.917 1.00 31.14 ATOM 350 CG1 ILE 109 14.791 14.088 28.562 1.00 27.52 ATOM 351 CD1 ILE 109 14.643 15.182 29.578 1.00 20.42 ATOM 352 CG2 ILE 109 15.051 11.966 30.036 1.00 31.36 ATOM 353 C ILE 109 13.585 10.434 27.908 1.00 32.87 ATOM 354 O ILE 109 14.330 9.472 27.708 1.00 33.43 ATOM 355 N LEU 111 11.841 8.551 26.120 1.00 37.15 ATOM 356 CA LEU 111 11.960 7.704 24.939 1.00 35.89 ATOM 357 CB LEU 111 11.356 8.414 23.693 1.00 36.43 ATOM 358 CG LEU 111 11.349 7.580 22.412 1.00 36.11 ATOM 359 CD1 LEU 111 10.145 6.607 22.432 1.00 37.90 ATOM 360 CD2 LEU 111 11.315 8.495 21.211 1.00 37.24 ATOM 361 C LEU 111 13.381 7.306 24.644 1.00 35.65 ATOM 362 O LEU 111 13.653 6.201 24.221 1.00 34.88 ATOM 363 N MET 112 14.315 8.212 24.848 1.00 35.91 ATOM 364 CA MET 112 15.604 8.018 24.256 1.00 36.32 ATOM 365 CB MET 112 15.889 9.211 23.353 1.00 35.34 ATOM 366 CG MET 112 14.937 9.328 22.184 1.00 38.19 ATOM 367 SD MET 112 15.438 10.856 21.291 1.00 41.36 ATOM 368 CE MET 112 17.044 10.327 20.756 1.00 45.22 ATOM 369 C MET 112 16.770 7.911 25.217 1.00 36.50 ATOM 370 O MET 112 17.882 7.476 24.800 1.00 36.67 ATOM 371 N ASP 113 16.586 8.399 26.449 1.00 35.83 ATOM 372 CA ASP 113 17.720 8.582 27.361 1.00 35.39 ATOM 373 CB ASP 113 18.141 7.215 27.921 1.00 36.49 ATOM 374 CG ASP 113 18.777 7.297 29.298 1.00 39.41 ATOM 375 OD1 ASP 113 18.637 8.317 29.990 1.00 43.60 ATOM 376 OD2 ASP 113 19.389 6.298 29.714 1.00 45.15 ATOM 377 C ASP 113 18.903 9.276 26.668 1.00 33.49 ATOM 378 O ASP 113 19.947 8.681 26.508 1.00 32.99 ATOM 379 N PRO 114 18.738 10.566 26.249 1.00 32.68 ATOM 380 CA PRO 114 19.798 11.226 25.457 1.00 30.79 ATOM 381 CB PRO 114 19.069 12.431 24.860 1.00 30.42 ATOM 382 CG PRO 114 17.961 12.720 25.771 1.00 29.14 ATOM 383 CD PRO 114 17.559 11.435 26.420 1.00 31.41 ATOM 384 C PRO 114 20.916 11.717 26.308 1.00 30.07 ATOM 385 O PRO 114 20.710 11.869 27.466 1.00 30.91 ATOM 386 N ARG 115 22.076 12.025 25.741 1.00 28.48 ATOM 387 CA ARG 115 23.066 12.751 26.472 1.00 28.18 ATOM 388 CB ARG 115 24.346 12.786 25.662 1.00 28.21 ATOM 389 CG ARG 115 24.632 11.459 25.053 1.00 25.85 ATOM 390 CD ARG 115 26.071 11.295 24.625 1.00 28.97 ATOM 391 NE ARG 115 26.197 9.894 24.235 1.00 34.99 ATOM 392 CZ ARG 115 26.858 9.430 23.186 1.00 38.60 ATOM 393 NH1 ARG 115 27.516 10.259 22.373 1.00 38.73 ATOM 394 NH2 ARG 115 26.816 8.126 22.935 1.00 38.83 ATOM 395 C ARG 115 22.635 14.179 26.823 1.00 28.80 ATOM 396 O ARG 115 22.912 14.687 27.936 1.00 28.39 ATOM 397 N TYR 116 21.927 14.812 25.883 1.00 28.65 ATOM 398 CA TYR 116 21.518 16.195 25.960 1.00 29.17 ATOM 399 CB TYR 116 22.645 17.088 25.448 1.00 29.36 ATOM 400 CG TYR 116 22.216 18.526 25.538 1.00 32.26 ATOM 401 CD1 TYR 116 22.308 19.208 26.760 1.00 28.21 ATOM 402 CE1 TYR 116 21.913 20.499 26.881 1.00 30.01 ATOM 403 CZ TYR 116 21.393 21.168 25.779 1.00 31.19 ATOM 404 OH TYR 116 20.975 22.467 25.966 1.00 33.77 ATOM 405 CE2 TYR 116 21.291 20.553 24.551 1.00 29.32 ATOM 406 CD2 TYR 116 21.688 19.213 24.411 1.00 29.15 ATOM 407 C TYR 116 20.284 16.416 25.088 1.00 29.33 ATOM 408 O TYR 116 20.154 15.776 24.056 1.00 29.53 ATOM 409 N ILE 117 19.388 17.285 25.525 1.00 27.82 ATOM 410 CA ILE 117 18.223 17.672 24.780 1.00 27.63 ATOM 411 CB ILE 117 17.040 16.686 24.926 1.00 29.09 ATOM 412 CG1 ILE 117 15.858 17.154 24.080 1.00 25.55 ATOM 413 CD1 ILE 117 14.911 16.060 23.690 1.00 23.85 ATOM 414 CG2 ILE 117 16.578 16.564 26.426 1.00 26.67 ATOM 415 C ILE 117 17.798 19.045 25.314 1.00 28.11 ATOM 416 O ILE 117 18.017 19.367 26.521 1.00 27.07 ATOM 417 N GLU 118 17.285 19.866 24.383 1.00 27.21 ATOM 418 CA GLU 118 16.648 21.131 24.681 1.00 27.80 ATOM 419 CB GLU 118 17.615 22.270 24.505 1.00 26.73 ATOM 420 CG GLU 118 18.168 22.420 23.089 1.00 29.93 ATOM 421 CD GLU 118 19.109 23.586 22.987 1.00 34.46 ATOM 422 OE1 GLU 118 19.928 23.827 23.924 1.00 29.71 ATOM 423 OE2 GLU 118 19.000 24.295 21.957 1.00 38.97 ATOM 424 C GLU 118 15.428 21.323 23.778 1.00 28.08 ATOM 425 O GLU 118 15.382 20.830 22.638 1.00 28.69 ATOM 426 N VAL 119 14.460 22.055 24.286 1.00 26.85 ATOM 427 CA VAL 119 13.244 22.308 23.566 1.00 26.53 ATOM 428 CB VAL 119 12.055 21.539 24.169 1.00 26.83 ATOM 429 CG1 VAL 119 10.767 21.999 23.540 1.00 22.98 ATOM 430 CG2 VAL 119 12.265 19.977 23.977 1.00 26.48 ATOM 431 C VAL 119 13.087 23.788 23.707 1.00 28.09 ATOM 432 O VAL 119 13.156 24.296 24.836 1.00 28.03 ATOM 433 N TYR 137 18.338 19.727 29.299 1.00 27.60 ATOM 434 CA TYR 137 18.612 18.584 30.111 1.00 29.91 ATOM 435 CB TYR 137 17.438 17.617 30.008 1.00 29.40 ATOM 436 CG TYR 137 17.752 16.214 30.425 1.00 32.68 ATOM 437 CD1 TYR 137 18.344 15.316 29.524 1.00 33.25 ATOM 438 CE1 TYR 137 18.669 14.017 29.879 1.00 32.68 ATOM 439 CZ TYR 137 18.356 13.567 31.175 1.00 36.06 ATOM 440 OH TYR 137 18.674 12.245 31.569 1.00 35.08 ATOM 441 CE2 TYR 137 17.741 14.440 32.091 1.00 35.15 ATOM 442 CD2 TYR 137 17.443 15.757 31.719 1.00 34.21 ATOM 443 C TYR 137 19.897 17.949 29.597 1.00 30.63 ATOM 444 O TYR 137 20.101 17.909 28.392 1.00 29.44 ATOM 445 N TYR 150 25.459 25.324 31.174 1.00 32.57 ATOM 446 CA TYR 150 26.162 26.349 30.435 1.00 32.62 ATOM 447 CB TYR 150 27.343 25.742 29.738 1.00 32.80 ATOM 448 CG TYR 150 28.000 26.634 28.720 1.00 32.42 ATOM 449 CD1 TYR 150 28.983 27.571 29.089 1.00 32.30 ATOM 450 CE1 TYR 150 29.593 28.388 28.111 1.00 34.19 ATOM 451 CZ TYR 150 29.217 28.202 26.742 1.00 35.25 ATOM 452 OH TYR 150 29.770 28.959 25.709 1.00 36.34 ATOM 453 CE2 TYR 150 28.276 27.277 26.390 1.00 29.47 ATOM 454 CD2 TYR 150 27.687 26.495 27.369 1.00 32.67 ATOM 455 C TYR 150 25.178 26.953 29.403 1.00 32.73 ATOM 456 O TYR 150 25.046 28.169 29.322 1.00 32.79 ATOM 457 N ARG 151 24.471 26.091 28.676 1.00 31.98 ATOM 458 CA ARG 151 23.510 26.560 27.684 1.00 32.65 ATOM 459 CB ARG 151 23.102 25.432 26.725 1.00 31.68 ATOM 460 CG ARG 151 24.243 25.070 25.737 1.00 29.13 ATOM 461 CD ARG 151 23.870 23.831 24.912 1.00 32.01 ATOM 462 NE ARG 151 22.950 24.165 23.819 1.00 34.34 ATOM 463 CZ ARG 151 23.303 24.320 22.545 1.00 34.17 ATOM 464 NH1 ARG 151 24.552 24.117 22.147 1.00 32.39 ATOM 465 NH2 ARG 151 22.388 24.650 21.652 1.00 37.11 ATOM 466 C ARG 151 22.331 27.321 28.272 1.00 33.84 ATOM 467 O ARG 151 21.877 28.275 27.672 1.00 34.65 ATOM 468 O6 GDQ 201 16.252 10.579 8.263 1.00 46.59 ATOM 469 C6 GDQ 201 15.270 10.328 9.202 1.00 48.37 ATOM 470 N1 GDQ 201 15.542 10.525 10.528 1.00 46.85 ATOM 471 C5 GDQ 201 13.991 9.855 8.867 1.00 46.54 ATOM 472 C7 GDQ 201 13.276 9.517 7.718 1.00 48.07 ATOM 473 C77 GDQ 201 13.836 9.542 6.477 1.00 48.31 ATOM 474 N77 GDQ 201 14.649 9.596 5.520 1.00 47.22 ATOM 475 C8 GDQ 201 11.979 9.046 8.000 1.00 46.57 ATOM 476 N9 GDQ 201 11.862 9.143 9.373 1.00 46.58 ATOM 477 C4 GDQ 201 13.063 9.610 9.883 1.00 46.73 ATOM 478 N3 GDQ 201 13.377 9.834 11.192 1.00 45.07 ATOM 479 C2 GDQ 201 14.604 10.305 11.490 1.00 45.80 ATOM 480 N2 GDQ 201 14.938 10.550 12.771 1.00 47.19 ATOM 481 N PHE 47 32.632 23.771 1.969 1.00 25.69 ATOM 482 CA PHE 47 31.781 23.461 0.804 1.00 25.78 ATOM 483 CB PHE 47 32.013 22.023 0.346 1.00 26.07 ATOM 484 CG PHE 47 33.463 21.733 0.066 1.00 25.38 ATOM 485 CD1 PHE 47 34.320 21.390 1.105 1.00 29.07 ATOM 486 CE1 PHE 47 35.721 21.147 0.851 1.00 29.50 ATOM 487 CZ PHE 47 36.214 21.277 −0.450 1.00 26.40 ATOM 488 CE2 PHE 47 35.369 21.631 −1.463 1.00 24.93 ATOM 489 CD2 PHE 47 33.991 21.858 −1.213 1.00 27.19 ATOM 490 C PHE 47 30.316 23.676 1.087 1.00 26.50 ATOM 491 O PHE 47 29.767 23.098 2.041 1.00 26.93 ATOM 492 N ASN 48 29.687 24.497 0.252 1.00 26.28 ATOM 493 CA ASN 48 28.235 24.684 0.232 1.00 26.70 ATOM 494 CB ASN 48 27.922 26.101 −0.167 1.00 26.63 ATOM 495 CG ASN 48 28.611 27.143 0.712 1.00 27.75 ATOM 496 OD1 ASN 48 28.397 27.164 1.918 1.00 26.90 ATOM 497 ND2 ASN 48 29.402 28.026 0.107 1.00 21.97 ATOM 498 C ASN 48 27.658 23.762 −0.816 1.00 27.42 ATOM 499 O ASN 48 28.023 23.869 −2.013 1.00 27.74 ATOM 500 N CYS 49 26.787 22.842 −0.398 1.00 27.81 ATOM 501 CA CYS 49 26.273 21.767 −1.259 1.00 27.79 ATOM 502 CB CYS 49 26.793 20.400 −0.837 1.00 27.88 ATOM 503 SG CYS 49 28.577 20.421 −0.479 1.00 33.42 ATOM 504 C CYS 49 24.770 21.767 −1.237 1.00 27.42 ATOM 505 O CYS 49 24.198 20.917 −0.654 1.00 27.36 ATOM 506 N PRO 50 24.124 22.730 −1.924 1.00 28.25 ATOM 507 CA PRO 50 22.686 22.818 −1.939 1.00 28.95 ATOM 508 CB PRO 50 22.443 24.247 −2.402 1.00 28.68 ATOM 509 CG PRO 50 23.565 24.504 −3.259 1.00 29.66 ATOM 510 CD PRO 50 24.733 23.791 −2.741 1.00 27.22 ATOM 511 C PRO 50 22.014 21.801 −2.884 1.00 30.16 ATOM 512 O PRO 50 20.791 21.723 −2.931 1.00 30.23 ATOM 513 N GLU 51 22.771 20.946 −3.565 1.00 30.75 ATOM 514 CA GLU 51 22.071 19.985 −4.423 1.00 30.88 ATOM 515 CB GLU 51 22.673 20.023 −5.841 1.00 30.96 ATOM 516 CG GLU 51 22.258 21.350 −6.510 1.00 30.27 ATOM 517 CD GLU 51 23.061 21.699 −7.748 1.00 34.08 ATOM 518 OE1 GLU 51 23.852 20.862 −8.240 1.00 37.55 ATOM 519 OE2 GLU 51 22.926 22.838 −8.208 1.00 33.25 ATOM 520 C GLU 51 21.912 18.575 −3.887 1.00 31.31 ATOM 521 O GLU 51 21.585 17.655 −4.633 1.00 32.45 ATOM 522 N PHE 52 22.124 18.375 −2.589 1.00 30.57 ATOM 523 CA PHE 52 22.131 17.018 −2.077 1.00 29.32 ATOM 524 CB PHE 52 22.611 16.980 −0.630 1.00 29.38 ATOM 525 CG PHE 52 22.723 15.591 −0.098 1.00 28.90 ATOM 526 CD1 PHE 52 23.853 14.826 −0.386 1.00 25.64 ATOM 527 CE1 PHE 52 23.970 13.539 0.110 1.00 26.75 ATOM 528 CZ PHE 52 22.931 12.979 0.832 1.00 25.36 ATOM 529 CE2 PHE 52 21.775 13.732 1.108 1.00 28.36 ATOM 530 CD2 PHE 52 21.671 15.023 0.633 1.00 26.05 ATOM 531 C PHE 52 20.763 16.399 −2.163 1.00 29.42 ATOM 532 O PHE 52 19.775 17.081 −1.906 1.00 29.42 ATOM 533 N THR 53 20.707 15.108 −2.500 1.00 28.87 ATOM 534 CA THR 53 19.463 14.351 −2.526 1.00 29.86 ATOM 535 CB THR 53 18.606 14.633 −3.824 1.00 29.43 ATOM 536 OG1 THR 53 17.338 14.042 −3.678 1.00 29.24 ATOM 537 CG2 THR 53 19.190 14.011 −5.095 1.00 29.41 ATOM 538 C THR 53 19.716 12.833 −2.291 1.00 30.60 ATOM 539 O THR 53 20.768 12.324 −2.666 1.00 31.11 ATOM 540 N SER 54 18.781 12.147 −1.631 1.00 31.90 ATOM 541 CA SER 54 18.856 10.702 −1.377 1.00 34.24 ATOM 542 CB SER 54 19.842 10.349 −0.231 1.00 33.85 ATOM 543 OG SER 54 19.567 11.019 0.994 1.00 34.45 ATOM 544 C SER 54 17.481 10.156 −1.061 1.00 36.26 ATOM 545 O SER 54 16.481 10.824 −1.267 1.00 36.99 ATOM 546 N LEU 55 17.436 8.942 −0.525 1.00 38.76 ATOM 547 CA LEU 55 16.202 8.215 −0.362 1.00 40.65 ATOM 548 CB LEU 55 16.269 6.944 −1.230 1.00 40.22 ATOM 549 CG LEU 55 16.388 7.100 −2.768 1.00 39.91 ATOM 550 CD1 LEU 55 16.411 5.781 −3.485 1.00 36.87 ATOM 551 CD2 LEU 55 15.247 7.942 −3.330 1.00 37.75 ATOM 552 C LEU 55 15.924 7.856 1.091 1.00 42.66 ATOM 553 O LEU 55 16.855 7.595 1.853 1.00 42.18 ATOM 554 N CYS 56 14.639 7.851 1.459 1.00 45.64 ATOM 555 CA CYS 56 14.151 7.328 2.741 1.00 47.46 ATOM 556 CB CYS 56 12.653 7.597 2.847 1.00 47.73 ATOM 557 SG CYS 56 11.877 7.181 4.439 1.00 49.73 ATOM 558 C CYS 56 14.391 5.806 2.715 1.00 49.16 ATOM 559 O CYS 56 13.992 5.153 1.744 1.00 48.69 ATOM 560 N PRO 57 15.051 5.237 3.759 1.00 50.23 ATOM 561 CA PRO 57 15.432 3.824 3.665 1.00 51.27 ATOM 562 CB PRO 57 16.373 3.626 4.856 1.00 50.81 ATOM 563 CG PRO 57 15.940 4.618 5.831 1.00 49.99 ATOM 564 CD PRO 57 15.455 5.815 5.052 1.00 50.40 ATOM 565 C PRO 57 14.233 2.848 3.719 1.00 52.30 ATOM 566 O PRO 57 14.320 1.757 3.183 1.00 52.64 ATOM 567 N LYS 58 13.125 3.254 4.326 1.00 54.16 ATOM 568 CA LYS 58 11.951 2.384 4.406 1.00 56.16 ATOM 569 CB LYS 58 11.181 2.556 5.731 1.00 57.06 ATOM 570 CG LYS 58 10.979 1.203 6.467 1.00 60.28 ATOM 571 CD LYS 58 9.562 1.010 7.050 1.00 64.21 ATOM 572 CE LYS 58 9.486 −0.294 7.871 1.00 64.13 ATOM 573 NZ LYS 58 8.711 −0.082 9.156 1.00 65.58 ATOM 574 C LYS 58 11.037 2.556 3.178 1.00 56.38 ATOM 575 O LYS 58 10.947 1.645 2.359 1.00 57.38 ATOM 576 N VAL 59 10.375 3.710 3.033 1.00 56.15 ATOM 577 CA VAL 59 9.676 4.053 1.774 1.00 55.14 ATOM 578 CB VAL 59 8.771 5.277 1.954 1.00 55.05 ATOM 579 CG1 VAL 59 7.916 5.111 3.200 1.00 55.49 ATOM 580 CG2 VAL 59 9.590 6.529 2.059 1.00 54.75 ATOM 581 C VAL 59 10.731 4.349 0.714 1.00 54.81 ATOM 582 O VAL 59 11.901 4.566 1.033 1.00 55.98 ATOM 583 N GLY 60 10.391 4.364 −0.555 1.00 53.64 ATOM 584 CA GLY 60 11.477 4.725 −1.480 1.00 52.33 ATOM 585 C GLY 60 11.698 6.226 −1.691 1.00 50.31 ATOM 586 O GLY 60 12.462 6.601 −2.557 1.00 50.01 ATOM 587 N GLN 61 11.025 7.072 −0.916 1.00 48.88 ATOM 588 CA GLN 61 10.866 8.502 −1.255 1.00 49.29 ATOM 589 CB GLN 61 9.763 9.143 −0.416 1.00 49.10 ATOM 590 CG GLN 61 8.392 8.540 −0.650 1.00 53.70 ATOM 591 CD GLN 61 7.223 9.398 −0.099 1.00 55.70 ATOM 592 OE1 GLN 61 6.307 8.865 0.587 1.00 62.01 ATOM 593 NE2 GLN 61 7.251 10.733 −0.389 1.00 60.03 ATOM 594 C GLN 61 12.159 9.328 −1.145 1.00 45.89 ATOM 595 O GLN 61 12.932 9.120 −0.212 1.00 45.98 ATOM 596 N PRO 62 12.393 10.266 −2.102 1.00 43.29 ATOM 597 CA PRO 62 13.559 11.153 −2.095 1.00 40.15 ATOM 598 CB PRO 62 13.510 11.818 −3.476 1.00 40.40 ATOM 599 CG PRO 62 12.546 11.045 −4.272 1.00 40.75 ATOM 600 CD PRO 62 11.560 10.506 −3.298 1.00 43.04 ATOM 601 C PRO 62 13.498 12.229 −1.026 1.00 37.93 ATOM 602 O PRO 62 12.404 12.729 −0.685 1.00 37.34 ATOM 603 N ASP 63 14.672 12.566 −0.503 1.00 34.80 ATOM 604 CA ASP 63 14.838 13.679 0.427 1.00 34.59 ATOM 605 CB ASP 63 15.386 13.249 1.794 1.00 35.69 ATOM 606 CG ASP 63 14.546 12.187 2.493 1.00 43.45 ATOM 607 OD1 ASP 63 13.279 12.244 2.460 1.00 49.93 ATOM 608 OD2 ASP 63 15.190 11.265 3.089 1.00 50.25 ATOM 609 C ASP 63 15.877 14.615 −0.176 1.00 31.59 ATOM 610 O ASP 63 16.629 14.243 −1.066 1.00 29.24 ATOM 611 N PHE 64 15.914 15.835 0.328 1.00 30.47 ATOM 612 CA PHE 64 16.764 16.880 −0.256 1.00 28.47 ATOM 613 CB PHE 64 15.908 17.789 −1.159 1.00 28.12 ATOM 614 CG PHE 64 15.310 17.066 −2.356 1.00 28.68 ATOM 615 CD1 PHE 64 14.170 16.281 −2.218 1.00 30.31 ATOM 616 CE1 PHE 64 13.626 15.616 −3.304 1.00 31.76 ATOM 617 CZ PHE 64 14.252 15.717 −4.582 1.00 27.12 ATOM 618 CE2 PHE 64 15.394 16.481 −4.728 1.00 30.78 ATOM 619 CD2 PHE 64 15.913 17.165 −3.620 1.00 30.18 ATOM 620 C PHE 64 17.363 17.683 0.868 1.00 27.63 ATOM 621 O PHE 64 16.713 17.873 1.873 1.00 28.69 ATOM 622 N ALA 65 18.563 18.232 0.663 1.00 26.33 ATOM 623 CA ALA 65 19.204 18.997 1.652 1.00 25.69 ATOM 624 CB ALA 65 19.914 18.004 2.719 1.00 24.22 ATOM 625 C ALA 65 20.231 19.941 1.047 1.00 25.67 ATOM 626 O ALA 65 20.689 19.757 −0.068 1.00 26.66 ATOM 627 N THR 66 20.596 20.942 1.819 1.00 25.39 ATOM 628 CA THR 66 21.827 21.677 1.651 1.00 27.61 ATOM 629 CB THR 66 21.592 23.154 1.861 1.00 27.25 ATOM 630 OG1 THR 66 20.752 23.615 0.820 1.00 30.69 ATOM 631 CG2 THR 66 22.868 23.915 1.735 1.00 31.40 ATOM 632 C THR 66 22.780 21.182 2.743 1.00 28.30 ATOM 633 O THR 66 22.431 21.123 3.933 1.00 28.10 ATOM 634 N ILE 67 23.989 20.838 2.343 1.00 28.94 ATOM 635 CA ILE 67 24.990 20.392 3.301 1.00 28.94 ATOM 636 CB ILE 67 25.489 18.986 2.870 1.00 29.43 ATOM 637 CG1 ILE 67 24.280 18.048 2.848 1.00 28.57 ATOM 638 CD1 ILE 67 24.620 16.709 2.398 1.00 29.91 ATOM 639 CG2 ILE 67 26.608 18.471 3.775 1.00 29.92 ATOM 640 C ILE 67 26.077 21.424 3.311 1.00 28.85 ATOM 641 O ILE 67 26.424 21.922 2.236 1.00 29.21 ATOM 642 N TYR 68 26.586 21.770 4.505 1.00 28.85 ATOM 643 CA TYR 68 27.710 22.685 4.692 1.00 27.65 ATOM 644 CB TYR 68 27.343 23.892 5.554 1.00 28.00 ATOM 645 CG TYR 68 26.169 24.669 4.985 1.00 27.25 ATOM 646 CD1 TYR 68 24.864 24.443 5.411 1.00 23.97 ATOM 647 CE1 TYR 68 23.774 25.180 4.854 1.00 28.38 ATOM 648 CZ TYR 68 24.039 26.098 3.817 1.00 28.49 ATOM 649 OH TYR 68 23.061 26.851 3.171 1.00 26.21 ATOM 650 CE2 TYR 68 25.356 26.292 3.374 1.00 29.17 ATOM 651 CD2 TYR 68 26.388 25.605 3.943 1.00 27.85 ATOM 652 C TYR 68 28.791 21.837 5.337 1.00 29.20 ATOM 653 O TYR 68 28.563 21.226 6.411 1.00 29.47 ATOM 654 N ILE 69 29.938 21.743 4.665 1.00 28.12 ATOM 655 CA ILE 69 30.978 20.873 5.122 1.00 28.68 ATOM 656 CB ILE 69 31.367 19.781 4.122 1.00 29.11 ATOM 657 CG1 ILE 69 30.180 18.885 3.756 1.00 30.41 ATOM 658 CD1 ILE 69 30.590 17.811 2.756 1.00 32.90 ATOM 659 CG2 ILE 69 32.443 18.900 4.743 1.00 27.69 ATOM 660 C ILE 69 32.182 21.770 5.276 1.00 28.58 ATOM 661 O ILE 69 32.658 22.336 4.283 1.00 29.06 ATOM 662 N SER 70 32.661 21.910 6.508 1.00 27.09 ATOM 663 CA SER 70 33.785 22.801 6.780 1.00 28.38 ATOM 664 CB SER 70 33.358 23.914 7.713 1.00 27.46 ATOM 665 OG SER 70 32.356 24.705 7.126 1.00 31.79 ATOM 666 C SER 70 34.885 22.010 7.455 1.00 29.12 ATOM 667 O SER 70 34.616 21.271 8.405 1.00 29.98 ATOM 668 N TYR 71 36.117 22.155 7.009 1.00 29.92 ATOM 669 CA TYR 71 37.160 21.367 7.623 1.00 30.12 ATOM 670 CB TYR 71 37.288 20.027 6.896 1.00 31.24 ATOM 671 CG TYR 71 38.057 20.049 5.624 1.00 34.13 ATOM 672 CD1 TYR 71 37.440 20.384 4.411 1.00 36.91 ATOM 673 CE1 TYR 71 38.177 20.415 3.205 1.00 37.18 ATOM 674 CZ TYR 71 39.501 20.082 3.228 1.00 35.60 ATOM 675 OH TYR 71 40.238 20.092 2.087 1.00 35.76 ATOM 676 CE2 TYR 71 40.119 19.712 4.422 1.00 35.87 ATOM 677 CD2 TYR 71 39.384 19.678 5.604 1.00 33.90 ATOM 678 C TYR 71 38.443 22.145 7.689 1.00 30.03 ATOM 679 O TYR 71 38.617 23.077 6.913 1.00 30.38 ATOM 680 N HIS 93 20.358 5.944 −2.990 1.00 47.52 ATOM 681 CA HIS 93 20.765 5.322 −1.732 1.00 48.56 ATOM 682 CB HIS 93 22.195 5.740 −1.421 1.00 48.57 ATOM 683 CG HIS 93 22.758 5.106 −0.192 1.00 52.23 ATOM 684 ND1 HIS 93 22.860 5.775 1.013 1.00 54.40 ATOM 685 CE1 HIS 93 23.396 4.973 1.916 1.00 55.42 ATOM 686 NE2 HIS 93 23.646 3.809 1.340 1.00 57.29 ATOM 687 CD2 HIS 93 23.250 3.862 0.023 1.00 54.08 ATOM 688 C HIS 93 19.867 5.720 −0.556 1.00 48.30 ATOM 689 O HIS 93 19.671 6.927 −0.269 1.00 48.07 ATOM 690 N GLY 94 19.355 4.697 0.129 1.00 47.98 ATOM 691 CA GLY 94 18.500 4.857 1.314 1.00 48.09 ATOM 692 C GLY 94 19.275 4.869 2.645 1.00 48.30 ATOM 693 O GLY 94 20.181 4.042 2.874 1.00 48.30 ATOM 694 N ASP 95 18.918 5.828 3.505 1.00 47.87 ATOM 695 CA ASP 95 19.513 6.064 4.839 1.00 47.26 ATOM 696 CB ASP 95 21.035 6.282 4.813 1.00 47.30 ATOM 697 CG ASP 95 21.838 5.046 5.328 1.00 53.37 ATOM 698 OD1 ASP 95 21.253 4.127 5.991 1.00 57.20 ATOM 699 OD2 ASP 95 23.075 4.986 5.062 1.00 56.37 ATOM 700 C ASP 95 18.829 7.269 5.439 1.00 45.93 ATOM 701 O ASP 95 18.424 8.188 4.715 1.00 44.85 ATOM 702 N PHE 96 18.673 7.230 6.759 1.00 45.16 ATOM 703 CA PHE 96 18.244 8.384 7.568 1.00 44.14 ATOM 704 CB PHE 96 17.975 7.956 9.021 1.00 45.17 ATOM 705 CG PHE 96 16.845 6.950 9.187 1.00 46.90 ATOM 706 CD1 PHE 96 17.049 5.777 9.899 1.00 50.69 ATOM 707 CE1 PHE 96 16.004 4.853 10.087 1.00 51.94 ATOM 708 CZ PHE 96 14.748 5.115 9.538 1.00 50.11 ATOM 709 CE2 PHE 96 14.551 6.297 8.835 1.00 50.44 ATOM 710 CD2 PHE 96 15.582 7.194 8.674 1.00 48.33 ATOM 711 C PHE 96 19.278 9.536 7.523 1.00 42.30 ATOM 712 O PHE 96 20.478 9.313 7.278 1.00 41.46 ATOM 713 N HIS 97 18.813 10.766 7.750 1.00 40.24 ATOM 714 CA HIS 97 19.644 11.929 7.485 1.00 38.57 ATOM 715 CB HIS 97 18.862 13.246 7.612 1.00 38.59 ATOM 716 CG HIS 97 17.566 13.243 6.886 1.00 39.30 ATOM 717 ND1 HIS 97 17.353 12.495 5.749 1.00 39.03 ATOM 718 CE1 HIS 97 16.105 12.657 5.355 1.00 39.99 ATOM 719 NE2 HIS 97 15.500 13.477 6.194 1.00 39.16 ATOM 720 CD2 HIS 97 16.394 13.865 7.154 1.00 41.09 ATOM 721 C HIS 97 20.807 11.958 8.428 1.00 37.66 ATOM 722 O HIS 97 21.936 12.324 8.027 1.00 35.95 ATOM 723 N GLU 98 20.516 11.602 9.690 1.00 36.80 ATOM 724 CA GLU 98 21.535 11.574 10.764 1.00 36.97 ATOM 725 CB GLU 98 20.936 11.072 12.092 1.00 37.03 ATOM 726 CG GLU 98 19.820 11.966 12.647 1.00 37.99 ATOM 727 CD GLU 98 18.454 11.486 12.242 1.00 40.12 ATOM 728 OE1 GLU 98 18.295 11.083 11.042 1.00 41.19 ATOM 729 OE2 GLU 98 17.551 11.485 13.132 1.00 36.97 ATOM 730 C GLU 98 22.702 10.713 10.355 1.00 36.15 ATOM 731 O GLU 98 23.852 11.147 10.417 1.00 35.60 ATOM 732 N ASP 99 22.367 9.511 9.881 1.00 37.24 ATOM 733 CA ASP 99 23.332 8.504 9.449 1.00 39.23 ATOM 734 CB ASP 99 22.617 7.192 9.066 1.00 40.69 ATOM 735 CG ASP 99 21.899 6.552 10.265 1.00 46.52 ATOM 736 OD1 ASP 99 21.905 7.165 11.369 1.00 52.45 ATOM 737 OD2 ASP 99 21.304 5.441 10.120 1.00 55.36 ATOM 738 C ASP 99 24.146 9.032 8.297 1.00 38.47 ATOM 739 O ASP 99 25.384 9.033 8.361 1.00 38.11 ATOM 740 N CYS 100 23.439 9.530 7.272 1.00 37.61 ATOM 741 CA CYS 100 24.069 10.193 6.140 1.00 36.59 ATOM 742 CB CYS 100 23.016 10.943 5.370 1.00 38.17 ATOM 743 SG CYS 100 22.985 10.394 3.736 1.00 50.51 ATOM 744 C CYS 100 25.124 11.196 6.476 1.00 34.11 ATOM 745 O CYS 100 26.183 11.179 5.860 1.00 34.37 ATOM 746 N MET 101 24.837 12.120 7.406 1.00 32.07 ATOM 747 CA MET 101 25.789 13.170 7.727 1.00 30.50 ATOM 748 CB MET 101 25.177 14.258 8.633 1.00 29.72 ATOM 749 CG MET 101 23.944 15.068 8.074 1.00 30.97 ATOM 750 SD MET 101 24.038 15.616 6.312 1.00 34.79 ATOM 751 CE MET 101 25.767 15.923 6.142 1.00 34.90 ATOM 752 C MET 101 27.060 12.566 8.328 1.00 30.76 ATOM 753 O MET 101 28.181 13.042 8.041 1.00 30.83 ATOM 754 N ASN 102 26.882 11.532 9.172 1.00 30.68 ATOM 755 CA ASN 102 28.025 10.756 9.803 1.00 30.56 ATOM 756 CB ASN 102 27.525 9.863 10.943 1.00 30.26 ATOM 757 CG ASN 102 27.218 10.648 12.193 1.00 29.61 ATOM 758 OD1 ASN 102 28.087 11.279 12.731 1.00 33.98 ATOM 759 ND2 ASN 102 25.985 10.586 12.672 1.00 30.94 ATOM 760 C ASN 102 28.805 9.931 8.784 1.00 30.63 ATOM 761 O ASN 102 30.071 10.013 8.741 1.00 31.00 ATOM 762 N ILE 103 28.074 9.202 7.932 1.00 30.13 ATOM 763 CA ILE 103 28.707 8.540 6.782 1.00 31.39 ATOM 764 CB ILE 103 27.726 7.765 5.871 1.00 32.20 ATOM 765 CG1 ILE 103 27.180 6.532 6.582 1.00 31.35 ATOM 766 CD1 ILE 103 25.741 6.245 6.218 1.00 34.06 ATOM 767 CG2 ILE 103 28.440 7.328 4.590 1.00 32.53 ATOM 768 C ILE 103 29.527 9.515 5.966 1.00 31.52 ATOM 769 O ILE 103 30.718 9.291 5.709 1.00 33.07 ATOM 770 N ILE 104 28.943 10.646 5.605 1.00 31.97 ATOM 771 CA ILE 104 29.743 11.642 4.850 1.00 31.51 ATOM 772 CB ILE 104 28.874 12.853 4.381 1.00 30.18 ATOM 773 CG1 ILE 104 27.902 12.388 3.312 1.00 28.58 ATOM 774 CD1 ILE 104 26.775 13.385 3.032 1.00 28.59 ATOM 775 CG2 ILE 104 29.762 13.991 3.863 1.00 29.37 ATOM 776 C ILE 104 31.013 12.092 5.624 1.00 32.50 ATOM 777 O ILE 104 32.122 12.083 5.079 1.00 32.76 ATOM 778 N MET 105 30.841 12.496 6.891 1.00 32.90 ATOM 779 CA MET 105 31.993 12.914 7.665 1.00 33.18 ATOM 780 CB MET 105 31.587 13.402 9.043 1.00 33.13 ATOM 781 CG MET 105 32.741 14.085 9.726 1.00 32.87 ATOM 782 SD MET 105 32.368 14.745 11.346 1.00 34.05 ATOM 783 CE MET 105 31.675 13.253 12.068 1.00 24.36 ATOM 784 C MET 105 33.038 11.797 7.814 1.00 33.29 ATOM 785 O MET 105 34.231 12.077 7.782 1.00 32.49 ATOM 786 N TYR 116 40.382 19.325 11.802 1.00 32.16 ATOM 787 CA TYR 116 38.970 19.428 12.212 1.00 30.52 ATOM 788 CB TYR 116 38.754 20.794 12.826 1.00 29.77 ATOM 789 CG TYR 116 37.326 21.039 13.215 1.00 31.85 ATOM 790 CD1 TYR 116 36.812 20.513 14.408 1.00 30.34 ATOM 791 CE1 TYR 116 35.481 20.738 14.761 1.00 31.25 ATOM 792 CZ TYR 116 34.645 21.495 13.916 1.00 30.45 ATOM 793 OH TYR 116 33.333 21.695 14.289 1.00 33.06 ATOM 794 CE2 TYR 116 35.134 22.033 12.740 1.00 31.10 ATOM 795 CD2 TYR 116 36.460 21.807 12.383 1.00 28.87 ATOM 796 C TYR 116 38.024 19.208 11.014 1.00 30.65 ATOM 797 O TYR 116 38.345 19.614 9.892 1.00 30.59 ATOM 798 N ILE 117 36.858 18.598 11.241 1.00 28.73 ATOM 799 CA ILE 117 35.854 18.601 10.231 1.00 28.16 ATOM 800 CB ILE 117 35.966 17.372 9.240 1.00 29.12 ATOM 801 CG1 ILE 117 34.970 17.520 8.055 1.00 26.39 ATOM 802 CD1 ILE 117 35.060 16.421 6.957 1.00 27.24 ATOM 803 CG2 ILE 117 35.787 16.049 9.984 1.00 26.00 ATOM 804 C ILE 117 34.465 18.682 10.879 1.00 28.42 ATOM 805 O ILE 117 34.260 18.187 11.981 1.00 28.48 ATOM 806 N GLU 118 33.529 19.334 10.195 1.00 27.95 ATOM 807 CA GLU 118 32.112 19.252 10.530 1.00 28.61 ATOM 808 CB GLU 118 31.668 20.450 11.359 1.00 28.35 ATOM 809 CG GLU 118 32.180 21.743 10.808 1.00 33.29 ATOM 810 CD GLU 118 31.593 22.927 11.498 1.00 36.95 ATOM 811 OE1 GLU 118 31.715 23.099 12.730 1.00 37.45 ATOM 812 OE2 GLU 118 30.996 23.727 10.782 1.00 42.14 ATOM 813 C GLU 118 31.266 19.141 9.266 1.00 28.90 ATOM 814 O GLU 118 31.639 19.581 8.163 1.00 29.81 ATOM 815 N VAL 119 30.133 18.505 9.428 1.00 27.93 ATOM 816 CA VAL 119 29.186 18.389 8.394 1.00 26.65 ATOM 817 CB VAL 119 29.072 16.936 7.927 1.00 27.76 ATOM 818 CG1 VAL 119 27.955 16.810 6.857 1.00 25.00 ATOM 819 CG2 VAL 119 30.419 16.408 7.377 1.00 24.38 ATOM 820 C VAL 119 27.852 18.812 9.041 1.00 27.53 ATOM 821 O VAL 119 27.443 18.201 10.034 1.00 26.65 ATOM 822 N TRP 120 27.207 19.855 8.480 1.00 26.32 ATOM 823 CA TRP 120 25.868 20.268 8.865 1.00 25.22 ATOM 824 CB TRP 120 25.916 21.710 9.300 1.00 24.66 ATOM 825 CG TRP 120 24.772 22.213 10.090 1.00 23.83 ATOM 826 CD1 TRP 120 23.579 21.635 10.258 1.00 24.59 ATOM 827 NE1 TRP 120 22.795 22.427 11.084 1.00 29.40 ATOM 828 CE2 TRP 120 23.501 23.551 11.434 1.00 24.59 ATOM 829 CD2 TRP 120 24.753 23.450 10.825 1.00 22.94 ATOM 830 CE3 TRP 120 25.730 24.447 11.087 1.00 25.61 ATOM 831 CZ3 TRP 120 25.375 25.543 11.896 1.00 25.81 ATOM 832 CH2 TRP 120 24.079 25.624 12.463 1.00 21.59 ATOM 833 CZ2 TRP 120 23.149 24.625 12.276 1.00 22.78 ATOM 834 C TRP 120 24.914 20.147 7.694 1.00 25.58 ATOM 835 O TRP 120 25.110 20.784 6.644 1.00 24.48 ATOM 836 N GLY 121 23.899 19.321 7.876 1.00 24.73 ATOM 837 CA GLY 121 22.924 19.091 6.873 1.00 25.93 ATOM 838 C GLY 121 21.616 19.716 7.277 1.00 27.00 ATOM 839 O GLY 121 21.233 19.681 8.450 1.00 27.37 ATOM 840 N LYS 122 20.921 20.280 6.298 1.00 26.41 ATOM 841 CA LYS 122 19.667 20.964 6.533 1.00 26.76 ATOM 842 CB LYS 122 19.904 22.492 6.423 1.00 27.37 ATOM 843 CG LYS 122 20.900 23.024 7.484 1.00 25.44 ATOM 844 CD LYS 122 21.018 24.514 7.423 1.00 27.60 ATOM 845 CE LYS 122 22.046 24.964 8.409 1.00 31.63 ATOM 846 NZ LYS 122 21.799 26.326 8.922 1.00 40.28 ATOM 847 C LYS 122 18.657 20.496 5.519 1.00 26.44 ATOM 848 O LYS 122 18.704 20.909 4.353 1.00 27.76 ATOM 849 N PHE 123 17.765 19.622 5.946 1.00 26.32 ATOM 850 CA PHE 123 16.865 18.894 5.067 1.00 26.09 ATOM 851 CB PHE 123 16.605 17.465 5.583 1.00 25.12 ATOM 852 CG PHE 123 17.703 16.522 5.238 1.00 24.90 ATOM 853 CD1 PHE 123 18.921 16.580 5.928 1.00 22.78 ATOM 854 CE1 PHE 123 20.024 15.745 5.540 1.00 26.27 ATOM 855 CZ PHE 123 19.847 14.839 4.489 1.00 27.25 ATOM 856 CE2 PHE 123 18.597 14.764 3.809 1.00 25.30 ATOM 857 CD2 PHE 123 17.551 15.609 4.177 1.00 24.32 ATOM 858 C PHE 123 15.576 19.635 4.922 1.00 27.81 ATOM 859 O PHE 123 15.261 20.468 5.750 1.00 28.26 ATOM 860 N THR 124 14.833 19.321 3.852 1.00 28.52 ATOM 861 CA THR 124 13.525 19.924 3.604 1.00 28.16 ATOM 862 CB THR 124 13.196 19.913 2.061 1.00 28.66 ATOM 863 OG1 THR 124 13.159 18.555 1.567 1.00 24.86 ATOM 864 CG2 THR 124 14.299 20.723 1.255 1.00 25.85 ATOM 865 C THR 124 12.471 19.134 4.432 1.00 29.59 ATOM 866 O THR 124 12.682 17.947 4.731 1.00 29.24 ATOM 867 N PRO 125 11.362 19.793 4.824 1.00 29.30 ATOM 868 CA PRO 125 10.530 19.080 5.725 1.00 30.23 ATOM 869 CB PRO 125 9.591 20.172 6.295 1.00 29.73 ATOM 870 CG PRO 125 9.486 21.185 5.206 1.00 29.08 ATOM 871 CD PRO 125 10.870 21.176 4.578 1.00 28.72 ATOM 872 C PRO 125 9.754 17.938 5.114 1.00 31.25 ATOM 873 O PRO 125 9.627 17.859 3.901 1.00 31.50 ATOM 874 N ARG 126 9.287 17.040 5.987 1.00 32.08 ATOM 875 CA ARG 126 8.391 15.886 5.652 1.00 33.66 ATOM 876 CB ARG 126 9.161 14.548 5.698 1.00 33.84 ATOM 877 CG ARG 126 9.629 13.958 4.391 1.00 40.80 ATOM 878 CD ARG 126 10.157 15.048 3.470 1.00 49.19 ATOM 879 NE ARG 126 10.468 14.620 2.095 1.00 53.43 ATOM 880 CZ ARG 126 10.260 15.383 1.019 1.00 54.41 ATOM 881 NH1 ARG 126 9.697 16.583 1.154 1.00 52.21 ATOM 882 NH2 ARG 126 10.591 14.933 −0.190 1.00 55.80 ATOM 883 C ARG 126 7.398 15.872 6.787 1.00 32.80 ATOM 884 O ARG 126 7.782 15.809 7.949 1.00 32.63 ATOM 885 N GLY 127 6.130 15.965 6.490 1.00 32.28 ATOM 886 CA GLY 127 5.175 15.898 7.529 1.00 33.33 ATOM 887 C GLY 127 5.223 17.151 8.367 1.00 33.71 ATOM 888 O GLY 127 4.661 17.163 9.448 1.00 36.24 ATOM 889 N GLY 128 5.898 18.200 7.890 1.00 33.07 ATOM 890 CA GLY 128 5.878 19.513 8.545 1.00 31.01 ATOM 891 C GLY 128 7.096 19.756 9.403 1.00 30.37 ATOM 892 O GLY 128 7.247 20.806 9.995 1.00 29.97 ATOM 893 N ILE 129 7.995 18.792 9.417 1.00 30.13 ATOM 894 CA ILE 129 9.097 18.777 10.352 1.00 30.80 ATOM 895 CB ILE 129 8.881 17.556 11.360 1.00 31.06 ATOM 896 CG1 ILE 129 7.837 17.934 12.405 1.00 31.42 ATOM 897 CD1 ILE 129 7.494 16.802 13.347 1.00 31.28 ATOM 898 CG2 ILE 129 10.173 17.094 12.021 1.00 30.12 ATOM 899 C ILE 129 10.371 18.585 9.523 1.00 30.22 ATOM 900 O ILE 129 10.432 17.662 8.765 1.00 29.71 ATOM 901 N SER 130 11.378 19.443 9.697 1.00 29.49 ATOM 902 CA SER 130 12.628 19.267 9.021 1.00 29.39 ATOM 903 CB SER 130 13.054 20.535 8.265 1.00 29.82 ATOM 904 OG SER 130 12.895 21.700 9.066 1.00 33.34 ATOM 905 C SER 130 13.699 18.932 10.019 1.00 28.67 ATOM 906 O SER 130 13.638 19.323 11.181 1.00 28.81 ATOM 907 N ILE 131 14.717 18.255 9.535 1.00 28.29 ATOM 908 CA ILE 131 15.707 17.664 10.398 1.00 28.60 ATOM 909 CB ILE 131 15.790 16.156 10.178 1.00 28.00 ATOM 910 CG1 ILE 131 14.469 15.478 10.509 1.00 29.12 ATOM 911 CD1 ILE 131 14.627 13.943 10.523 1.00 31.67 ATOM 912 CG2 ILE 131 16.846 15.553 11.098 1.00 30.30 ATOM 913 C ILE 131 17.040 18.173 10.015 1.00 28.51 ATOM 914 O ILE 131 17.419 17.993 8.875 1.00 30.21 ATOM 915 N ASP 132 17.794 18.754 10.939 1.00 28.50 ATOM 916 CA ASP 132 19.112 19.247 10.589 1.00 28.58 ATOM 917 CB ASP 132 19.167 20.775 10.742 1.00 28.59 ATOM 918 CG ASP 132 18.050 21.518 9.972 1.00 32.67 ATOM 919 OD1 ASP 132 17.413 20.908 9.047 1.00 33.13 ATOM 920 OD2 ASP 132 17.832 22.734 10.281 1.00 30.84 ATOM 921 C ASP 132 20.210 18.639 11.454 1.00 28.06 ATOM 922 O ASP 132 20.569 19.228 12.481 1.00 29.94 ATOM 923 N PRO 133 20.839 17.547 10.997 1.00 27.68 ATOM 924 CA PRO 133 21.936 17.031 11.821 1.00 26.24 ATOM 925 CB PRO 133 22.078 15.559 11.365 1.00 26.83 ATOM 926 CG PRO 133 20.930 15.323 10.234 1.00 26.13 ATOM 927 CD PRO 133 20.617 16.733 9.765 1.00 26.41 ATOM 928 C PRO 133 23.258 17.746 11.623 1.00 27.02 ATOM 929 O PRO 133 23.634 18.075 10.463 1.00 26.96 ATOM 930 N TYR 134 24.006 17.887 12.730 1.00 25.47 ATOM 931 CA TYR 134 25.353 18.441 12.739 1.00 25.89 ATOM 932 CB TYR 134 25.311 19.763 13.512 1.00 25.31 ATOM 933 CG TYR 134 26.660 20.370 13.838 1.00 24.35 ATOM 934 CD1 TYR 134 27.193 20.315 15.160 1.00 23.18 ATOM 935 CE1 TYR 134 28.464 20.875 15.453 1.00 24.08 ATOM 936 CZ TYR 134 29.136 21.535 14.468 1.00 21.88 ATOM 937 OH TYR 134 30.320 22.155 14.703 1.00 23.60 ATOM 938 CE2 TYR 134 28.575 21.692 13.175 1.00 25.78 ATOM 939 CD2 TYR 134 27.337 21.105 12.887 1.00 23.05 ATOM 940 C TYR 134 26.331 17.477 13.464 1.00 27.74 ATOM 941 O TYR 134 26.066 17.083 14.598 1.00 27.04 ATOM 942 N THR 135 27.471 17.150 12.848 1.00 27.77 ATOM 943 CA THR 135 28.403 16.194 13.401 1.00 27.90 ATOM 944 CB THR 135 28.394 14.886 12.563 1.00 29.73 ATOM 945 OG1 THR 135 28.743 15.179 11.191 1.00 26.82 ATOM 946 CG2 THR 135 27.005 14.317 12.501 1.00 31.70 ATOM 947 C THR 135 29.699 16.946 13.214 1.00 28.27 ATOM 948 O THR 135 29.785 17.707 12.252 1.00 26.29 ATOM 949 N ASN 136 30.653 16.831 14.148 1.00 27.30 ATOM 950 CA ASN 136 32.002 17.319 13.914 1.00 29.52 ATOM 951 CB ASN 136 32.146 18.721 14.480 1.00 30.32 ATOM 952 CG ASN 136 32.092 18.720 15.989 1.00 33.09 ATOM 953 OD1 ASN 136 31.961 17.636 16.598 1.00 33.19 ATOM 954 ND2 ASN 136 32.190 19.908 16.606 1.00 29.70 ATOM 955 C ASN 136 33.094 16.332 14.492 1.00 30.64 ATOM 956 O ASN 136 32.777 15.211 14.918 1.00 30.23 ATOM 957 N TYR 137 34.354 16.737 14.516 1.00 31.44 ATOM 958 CA TYR 137 35.400 15.800 14.836 1.00 33.26 ATOM 959 CB TYR 137 35.489 14.757 13.753 1.00 33.53 ATOM 960 CG TYR 137 36.833 14.100 13.657 1.00 37.68 ATOM 961 CD1 TYR 137 37.882 14.695 12.916 1.00 39.03 ATOM 962 CE1 TYR 137 39.122 14.089 12.833 1.00 38.62 ATOM 963 CZ TYR 137 39.312 12.858 13.475 1.00 37.04 ATOM 964 OH TYR 137 40.525 12.236 13.388 1.00 37.95 ATOM 965 CE2 TYR 137 38.311 12.257 14.205 1.00 39.58 ATOM 966 CD2 TYR 137 37.077 12.876 14.306 1.00 39.01 ATOM 967 C TYR 137 36.684 16.558 14.878 1.00 34.30 ATOM 968 O TYR 137 36.897 17.336 13.999 1.00 34.65 ATOM 969 N GLY 138 37.514 16.329 15.904 1.00 34.97 ATOM 970 CA GLY 138 38.871 16.847 16.012 1.00 36.70 ATOM 971 C GLY 138 39.852 15.671 16.087 1.00 38.86 ATOM 972 O GLY 138 39.526 14.615 16.616 1.00 39.30 ATOM 973 N MET 147 38.468 21.956 20.283 1.00 37.42 ATOM 974 CA MET 147 37.682 22.767 19.336 1.00 36.40 ATOM 975 CB MET 147 38.459 23.029 18.060 1.00 36.69 ATOM 976 CG MET 147 37.593 23.631 16.948 1.00 36.55 ATOM 977 SD MET 147 38.714 24.162 15.672 1.00 38.00 ATOM 978 CE MET 147 37.547 24.843 14.490 1.00 37.25 ATOM 979 C MET 147 36.366 22.103 18.976 1.00 33.80 ATOM 980 O MET 147 35.305 22.744 19.030 1.00 34.54 ATOM 981 N ALA 148 36.429 20.827 18.635 1.00 30.79 ATOM 982 CA ALA 148 35.230 20.089 18.325 1.00 30.36 ATOM 983 CB ALA 148 35.582 18.690 17.935 1.00 29.44 ATOM 984 C ALA 148 34.236 20.072 19.479 1.00 30.74 ATOM 985 O ALA 148 33.012 20.234 19.270 1.00 30.28 ATOM 986 N GLU 149 34.743 19.849 20.696 1.00 31.65 ATOM 987 CA GLU 149 33.881 19.835 21.899 1.00 34.35 ATOM 988 CB GLU 149 34.687 19.538 23.186 1.00 33.19 ATOM 989 CG GLU 149 34.830 18.057 23.481 1.00 38.88 ATOM 990 CD GLU 149 36.210 17.658 24.163 1.00 42.14 ATOM 991 OE1 GLU 149 36.848 18.531 24.832 1.00 47.60 ATOM 992 OE2 GLU 149 36.641 16.452 24.008 1.00 50.65 ATOM 993 C GLU 149 33.213 21.164 22.061 1.00 31.67 ATOM 994 O GLU 149 32.036 21.261 22.343 1.00 31.83 ATOM 995 N TYR 150 34.013 22.189 21.902 1.00 31.60 ATOM 996 CA TYR 150 33.571 23.548 22.014 1.00 32.38 ATOM 997 CB TYR 150 34.783 24.435 21.874 1.00 32.16 ATOM 998 CG TYR 150 34.409 25.874 21.801 1.00 36.56 ATOM 999 CD1 TYR 150 34.387 26.670 22.953 1.00 35.94 ATOM 1000 CE1 TYR 150 34.037 28.033 22.867 1.00 38.57 ATOM 1001 CZ TYR 150 33.684 28.584 21.599 1.00 36.14 ATOM 1002 OH TYR 150 33.322 29.902 21.495 1.00 36.38 ATOM 1003 CE2 TYR 150 33.692 27.813 20.458 1.00 36.52 ATOM 1004 CD2 TYR 150 34.061 26.463 20.557 1.00 39.37 ATOM 1005 C TYR 150 32.491 23.943 20.961 1.00 31.78 ATOM 1006 O TYR 150 31.538 24.634 21.301 1.00 31.53 ATOM 1007 N ARG 151 32.649 23.502 19.711 1.00 30.58 ATOM 1008 CA ARG 151 31.679 23.869 18.629 1.00 31.25 ATOM 1009 CB ARG 151 32.270 23.750 17.213 1.00 29.31 ATOM 1010 CG ARG 151 33.403 24.722 17.014 1.00 29.65 ATOM 1011 CD ARG 151 34.070 24.685 15.627 1.00 33.04 ATOM 1012 NE ARG 151 33.214 25.051 14.483 1.00 34.09 ATOM 1013 CZ ARG 151 33.217 26.222 13.823 1.00 29.45 ATOM 1014 NH1 ARG 151 34.015 27.264 14.154 1.00 18.79 ATOM 1015 NH2 ARG 151 32.400 26.339 12.797 1.00 26.66 ATOM 1016 C ARG 151 30.417 23.061 18.793 1.00 31.29 ATOM 1017 O ARG 151 29.337 23.531 18.460 1.00 31.42 ATOM 1018 N MET 152 30.542 21.877 19.390 1.00 31.99 ATOM 1019 CA MET 152 29.385 21.051 19.710 1.00 33.41 ATOM 1020 CB MET 152 29.852 19.593 19.905 1.00 33.49 ATOM 1021 CG MET 152 28.787 18.496 19.908 1.00 32.71 ATOM 1022 SD MET 152 27.733 18.391 18.436 1.00 30.92 ATOM 1023 CE MET 152 28.887 17.745 17.203 1.00 33.44 ATOM 1024 C MET 152 28.647 21.653 20.935 1.00 34.99 ATOM 1025 O MET 152 27.423 21.797 20.947 1.00 34.46 ATOM 1026 N MET 153 29.405 22.060 21.943 1.00 37.09 ATOM 1027 CA MET 153 28.831 22.638 23.160 1.00 40.13 ATOM 1028 CB MET 153 29.895 22.908 24.226 1.00 38.85 ATOM 1029 CG MET 153 29.292 23.367 25.559 1.00 45.87 ATOM 1030 SD MET 153 30.249 22.912 27.096 1.00 49.98 ATOM 1031 CE MET 153 30.843 21.220 26.665 1.00 48.92 ATOM 1032 C MET 153 28.089 23.914 22.840 1.00 36.91 ATOM 1033 O MET 153 27.057 24.183 23.431 1.00 36.31 ATOM 1034 N ASN 154 28.613 24.680 21.888 1.00 35.83 ATOM 1035 CA ASN 154 28.030 25.983 21.510 1.00 34.38 ATOM 1036 CB ASN 154 29.136 27.010 21.408 1.00 34.16 ATOM 1037 CG ASN 154 29.770 27.318 22.730 1.00 34.51 ATOM 1038 OD1 ASN 154 29.320 28.204 23.433 1.00 36.25 ATOM 1039 ND2 ASN 154 30.845 26.608 23.065 1.00 33.62 ATOM 1040 C ASN 154 27.286 25.948 20.143 1.00 34.41 ATOM 1041 O ASN 154 27.190 26.983 19.430 1.00 34.63 ATOM 1042 N HIS 155 26.844 24.765 19.730 1.00 33.08 ATOM 1043 CA HIS 155 26.248 24.634 18.432 1.00 31.09 ATOM 1044 CB HIS 155 26.104 23.207 18.044 1.00 31.32 ATOM 1045 CG HIS 155 25.396 23.012 16.730 1.00 30.25 ATOM 1046 ND1 HIS 155 25.856 23.551 15.543 1.00 27.73 ATOM 1047 CE1 HIS 155 25.026 23.219 14.573 1.00 29.09 ATOM 1048 NE2 HIS 155 24.077 22.447 15.074 1.00 28.79 ATOM 1049 CD2 HIS 155 24.284 22.309 16.419 1.00 28.65 ATOM 1050 C HIS 155 24.873 25.175 18.488 1.00 31.08 ATOM 1051 O HIS 155 24.076 24.835 19.403 1.00 28.75 ATOM 1052 N ASP 156 24.585 26.002 17.479 1.00 30.62 ATOM 1053 CA ASP 156 23.260 26.453 17.233 1.00 31.29 ATOM 1054 CB ASP 156 22.517 25.325 16.598 1.00 32.05 ATOM 1055 CG ASP 156 21.363 25.797 15.752 1.00 33.74 ATOM 1056 OD1 ASP 156 21.378 26.950 15.278 1.00 33.95 ATOM 1057 OD2 ASP 156 20.436 24.979 15.589 1.00 33.43 ATOM 1058 C ASP 156 22.559 26.967 18.494 1.00 31.76 ATOM 1059 O ASP 156 21.532 26.487 18.884 1.00 32.57 ATOM 1060 N LEU 157 23.156 27.957 19.133 1.00 32.78 ATOM 1061 CA LEU 157 22.570 28.577 20.301 1.00 34.05 ATOM 1062 CB LEU 157 23.635 29.418 20.980 1.00 34.15 ATOM 1063 CG LEU 157 24.744 28.663 21.731 1.00 35.92 ATOM 1064 CD1 LEU 157 25.906 29.625 21.958 1.00 36.14 ATOM 1065 CD2 LEU 157 24.241 28.121 23.056 1.00 34.26 ATOM 1066 C LEU 157 21.371 29.477 19.948 1.00 34.83 ATOM 1067 O LEU 157 20.516 29.751 20.806 1.00 34.79 ATOM 1068 N TYR 158 21.312 29.931 18.683 1.00 34.65 ATOM 1069 CA TYR 158 20.195 30.746 18.183 1.00 34.37 ATOM 1070 CB TYR 158 20.616 32.208 17.918 1.00 35.77 ATOM 1071 CG TYR 158 21.019 32.940 19.181 1.00 38.74 ATOM 1072 CD1 TYR 158 20.057 33.598 19.965 1.00 38.20 ATOM 1073 CE1 TYR 158 20.410 34.257 21.150 1.00 37.71 ATOM 1074 CZ TYR 158 21.733 34.252 21.567 1.00 38.93 ATOM 1075 OH TYR 158 22.061 34.900 22.743 1.00 41.49 ATOM 1076 CE2 TYR 158 22.732 33.596 20.821 1.00 40.00 ATOM 1077 CD2 TYR 158 22.369 32.953 19.609 1.00 39.09 ATOM 1078 C TYR 158 19.782 30.119 16.899 1.00 32.77 ATOM 1079 O TYR 158 20.260 30.514 15.869 1.00 33.47 ATOM 1080 N PRO 159 18.872 29.176 16.952 1.00 31.26 ATOM 1081 CA PRO 159 18.385 28.472 15.784 1.00 30.51 ATOM 1082 CB PRO 159 17.350 27.474 16.366 1.00 30.21 ATOM 1083 CG PRO 159 17.594 27.464 17.887 1.00 31.97 ATOM 1084 CD PRO 159 18.142 28.826 18.185 1.00 31.36 ATOM 1085 C PRO 159 17.657 29.371 14.774 1.00 30.10 ATOM 1086 O PRO 159 16.800 30.146 15.154 1.00 29.37 ATOM 1087 N GLU 160 17.972 29.229 13.492 1.00 30.16 ATOM 1088 CA GLU 160 17.340 30.039 12.439 1.00 32.04 ATOM 1089 CB GLU 160 17.940 29.655 11.078 1.00 30.18 ATOM 1090 CG GLU 160 17.451 28.269 10.560 1.00 34.46 ATOM 1091 CD GLU 160 18.176 27.789 9.280 1.00 35.57 ATOM 1092 OE1 GLU 160 18.892 28.583 8.668 1.00 41.25 ATOM 1093 OE2 GLU 160 18.043 26.610 8.882 1.00 41.34 ATOM 1094 C GLU 160 15.796 29.901 12.440 1.00 30.49 ATOM 1095 O GLU 160 15.265 28.826 12.745 1.00 31.95 ATOM 1096 N THR 161 15.079 30.977 12.145 1.00 29.64 ATOM 1097 CA THR 161 13.628 30.878 11.976 1.00 29.93 ATOM 1098 CB THR 161 12.989 32.244 11.817 1.00 29.91 ATOM 1099 OG1 THR 161 13.379 33.017 12.930 1.00 31.93 ATOM 1100 CG2 THR 161 11.475 32.196 11.839 1.00 30.92 ATOM 1101 C THR 161 13.283 30.018 10.776 1.00 29.45 ATOM 1102 O THR 161 13.856 30.195 9.712 1.00 26.77 ATOM 1103 N ILE 162 12.415 29.040 11.003 1.00 29.30 ATOM 1104 CA ILE 162 11.966 28.158 9.973 1.00 30.78 ATOM 1105 CB ILE 162 12.415 26.699 10.241 1.00 30.32 ATOM 1106 CG1 ILE 162 13.955 26.574 10.160 1.00 32.82 ATOM 1107 CD1 ILE 162 14.639 26.722 8.752 1.00 30.34 ATOM 1108 CG2 ILE 162 11.698 25.722 9.318 1.00 29.66 ATOM 1109 C ILE 162 10.438 28.188 9.964 1.00 31.75 ATOM 1110 O ILE 162 9.826 28.114 11.040 1.00 31.45 ATOM 1111 N ASP 163 9.843 28.306 8.766 1.00 32.01 ATOM 1112 CA ASP 163 8.378 28.328 8.588 1.00 33.79 ATOM 1113 CB ASP 163 7.854 29.768 8.337 1.00 34.23 ATOM 1114 CG ASP 163 8.388 30.389 7.033 1.00 36.10 ATOM 1115 OD1 ASP 163 9.275 29.759 6.362 1.00 36.53 ATOM 1116 OD2 ASP 163 7.942 31.523 6.676 1.00 34.45 ATOM 1117 C ASP 163 7.892 27.387 7.475 1.00 34.13 ATOM 1118 O ASP 163 6.723 27.397 7.129 1.00 34.59 ATOM 1119 N ASN 164 8.802 26.590 6.917 1.00 33.87 ATOM 1120 CA ASN 164 8.479 25.672 5.830 1.00 34.28 ATOM 1121 CB ASN 164 7.383 24.655 6.231 1.00 32.50 ATOM 1122 CG ASN 164 7.827 23.673 7.325 1.00 32.82 ATOM 1123 OD1 ASN 164 9.016 23.590 7.685 1.00 30.94 ATOM 1124 ND2 ASN 164 6.852 22.923 7.862 1.00 29.12 ATOM 1125 C ASN 164 8.121 26.320 4.469 1.00 34.97 ATOM 1126 O ASN 164 7.603 25.637 3.594 1.00 35.11 ATOM 1127 O6 GDQ 201 39.880 25.293 −6.152 1.00 46.27 ATOM 1128 C6 GDQ 201 39.593 23.968 −5.959 1.00 47.77 ATOM 1129 N1 GDQ 201 39.601 23.364 −4.728 1.00 47.90 ATOM 1130 C5 GDQ 201 39.301 23.178 −7.050 1.00 48.17 ATOM 1131 C7 GDQ 201 39.166 23.330 −8.414 1.00 49.49 ATOM 1132 C77 GDQ 201 39.375 24.484 −9.040 1.00 48.63 ATOM 1133 N77 GDQ 201 39.668 25.525 −9.571 1.00 53.62 ATOM 1134 C8 GDQ 201 38.829 22.148 −9.069 1.00 47.67 ATOM 1135 N9 GDQ 201 38.739 21.226 −8.070 1.00 46.70 ATOM 1136 C4 GDQ 201 39.015 21.838 −6.880 1.00 47.89 ATOM 1137 N3 GDQ 201 39.029 21.264 −5.651 1.00 47.83 ATOM 1138 C2 GDQ 201 39.318 22.021 −4.572 1.00 48.19 ATOM 1139 N2 GDQ 201 39.322 21.396 −3.361 1.00 46.97 ATOM 1140 O HOH 8 19.757 8.705 23.115 1.00 21.93 ATOM 1141 O HOH 9 16.730 33.364 11.382 1.00 40.66 ATOM 1142 O HOH 11 27.237 28.759 3.717 1.00 29.18 ATOM 1143 O HOH 15 16.223 26.099 12.905 1.00 22.43 ATOM 1144 O HOH 22 5.725 20.960 12.801 1.00 32.23 ATOM 1145 O HOH 23 26.483 26.881 15.694 1.00 26.29 ATOM 1146 O HOH 26 20.142 27.693 13.096 1.00 27.14 ATOM 1147 O HOH 27 21.868 6.130 13.585 1.00 36.47 ATOM 1148 O HOH 30 28.511 2.826 16.753 1.00 64.34 ATOM 1149 O HOH 42 21.767 21.118 14.240 1.00 27.24 ATOM 1150 O HOH 54 13.783 16.099 2.576 1.00 43.09 ATOM 1151 O HOH 55 28.165 24.628 15.612 1.00 39.26 ATOM 1152 O HOH 56 19.625 24.149 10.924 1.00 40.09 ATOM 1153 O HOH 64 13.811 16.584 6.994 1.00 28.09 ATOM 1154 O HOH 65 20.835 31.317 12.975 1.00 40.30 ATOM 1155 O HOH 78 16.145 11.484 15.642 1.00 27.30 ATOM 1156 O HOH 83 7.785 13.582 9.680 1.00 34.38 ATOM 1157 O HOH 87 10.805 31.014 15.075 1.00 32.69 ATOM 1158 O HOH 103 25.573 11.359 19.680 1.00 45.74 ATOM 1159 O HOH 108 18.579 19.668 −2.773 1.00 36.21 ATOM 1160 O HOH 115 15.369 1.539 19.644 1.00 54.53 ATOM 1161 O HOH 126 10.486 32.719 8.446 1.00 49.09 ATOM 1162 O HOH 131 9.705 2.773 20.602 1.00 44.26 ATOM 1163 O HOH 163 6.170 18.948 5.019 1.00 33.75 ATOM 1164 O HOH 164 16.560 23.554 19.744 1.00 30.02 ATOM 1165 O HOH 166 20.824 31.198 23.480 1.00 34.22 ATOM 1166 O HOH 168 22.284 28.913 10.899 1.00 55.89 ATOM 1167 O HOH 170 20.747 22.169 16.695 1.00 28.84 ATOM 1168 O HOH 172 11.496 15.234 8.686 1.00 32.80 ATOM 1169 O HOH 195 5.378 11.950 7.154 1.00 49.16 ATOM 1170 O HOH 196 17.471 11.917 1.596 1.00 40.63 ATOM 1171 O HOH 199 17.835 23.153 3.180 1.00 34.48 ATOM 1172 O HOH 204 5.483 3.538 20.359 1.00 49.50 ATOM 1173 O HOH 212 20.741 26.123 4.224 1.00 49.25 ATOM 1174 O HOH 222 4.055 18.607 11.579 1.00 44.82 ATOM 1175 O HOH 225 21.043 −0.503 13.604 1.00 53.59 ATOM 1176 O HOH 231 18.836 10.804 3.944 1.00 47.28 ATOM 1177 O HOH 234 18.541 25.663 3.735 1.00 40.94 ATOM 1178 O HOH 236 19.233 2.370 13.665 1.00 50.27 ATOM 1179 O HOH 250 8.142 29.477 12.219 1.00 43.13 TER

TABLE 3 REMARK Accelrys ViewerPro PDB file REMARK Created: Tue Dec 14 10:14:33 Pacific Standard Time 2010 ATOM 1 N VAL 30 35.188 7.208 −5.182 1.00 49.20 ATOM 2 CA VAL 30 35.454 8.332 −6.081 1.00 47.94 ATOM 3 CB VAL 30 34.221 8.864 −6.770 1.00 48.69 ATOM 4 CG1 VAL 30 33.080 9.166 −5.764 1.00 48.60 ATOM 5 CG2 VAL 30 33.777 7.884 −7.796 1.00 49.82 ATOM 6 C VAL 30 36.110 9.501 −5.411 1.00 47.63 ATOM 7 O VAL 30 36.705 10.336 −6.102 1.00 47.83 ATOM 8 N LEU 31 35.997 9.589 −4.083 1.00 46.39 ATOM 9 CA LEU 31 36.623 10.701 −3.349 1.00 46.10 ATOM 10 CB LEU 31 36.418 10.555 −1.831 1.00 45.42 ATOM 11 CG LEU 31 35.467 11.410 −0.990 1.00 44.53 ATOM 12 CD1 LEU 31 34.649 12.453 −1.769 1.00 40.66 ATOM 13 CD2 LEU 31 34.593 10.516 −0.105 1.00 38.57 ATOM 14 C LEU 31 38.104 10.771 −3.656 1.00 45.76 ATOM 15 O LEU 31 38.776 9.764 −3.587 1.00 46.94 ATOM 16 N GLU 32 38.621 11.953 −3.948 1.00 45.42 ATOM 17 CA GLU 32 40.029 12.108 −4.271 1.00 46.01 ATOM 18 CB GLU 32 40.226 12.276 −5.787 1.00 46.13 ATOM 19 CG GLU 32 40.517 10.940 −6.509 1.00 53.01 ATOM 20 CD GLU 32 39.789 10.828 −7.863 1.00 60.62 ATOM 21 OE1 GLU 32 39.404 9.697 −8.281 1.00 61.89 ATOM 22 OE2 GLU 32 39.591 11.890 −8.505 1.00 64.13 ATOM 23 C GLU 32 40.614 13.287 −3.514 1.00 45.29 ATOM 24 O GLU 32 39.881 14.147 −3.049 1.00 45.17 ATOM 25 N SER 33 41.932 13.324 −3.382 1.00 44.52 ATOM 26 CA SER 33 42.562 14.412 −2.671 1.00 44.63 ATOM 27 CB SER 33 42.827 14.003 −1.208 1.00 44.45 ATOM 28 OG SER 33 43.687 12.891 −1.127 1.00 43.96 ATOM 29 C SER 33 43.844 14.931 −3.326 1.00 44.72 ATOM 30 O SER 33 44.326 14.393 −4.300 1.00 44.65 ATOM 31 N PHE 34 44.398 16.004 −2.776 1.00 45.71 ATOM 32 CA PHE 34 45.679 16.519 −3.237 1.00 45.35 ATOM 33 CB PHE 34 45.468 17.496 −4.391 1.00 44.62 ATOM 34 CG PHE 34 44.641 18.688 −4.034 1.00 44.25 ATOM 35 CD1 PHE 34 43.278 18.696 −4.273 1.00 43.81 ATOM 36 CE1 PHE 34 42.491 19.782 −3.950 1.00 44.48 ATOM 37 CZ PHE 34 43.058 20.909 −3.382 1.00 44.76 ATOM 38 CE2 PHE 34 44.435 20.926 −3.135 1.00 46.87 ATOM 39 CD2 PHE 34 45.222 19.804 −3.468 1.00 44.56 ATOM 40 C PHE 34 46.377 17.142 −2.018 1.00 46.33 ATOM 41 O PHE 34 45.723 17.367 −1.001 1.00 46.77 ATOM 42 N PRO 35 47.696 17.424 −2.100 1.00 46.81 ATOM 43 CA PRO 35 48.403 17.872 −0.882 1.00 46.68 ATOM 44 CB PRO 35 49.889 17.779 −1.289 1.00 46.82 ATOM 45 CG PRO 35 49.887 16.917 −2.611 1.00 46.99 ATOM 46 CD PRO 35 48.611 17.343 −3.255 1.00 46.24 ATOM 47 C PRO 35 48.082 19.315 −0.443 1.00 46.56 ATOM 48 O PRO 35 47.841 20.193 −1.287 1.00 46.34 ATOM 49 N ASN 36 48.114 19.559 0.866 1.00 45.58 ATOM 50 CA ASN 36 47.993 20.913 1.369 1.00 45.10 ATOM 51 CB ASN 36 47.523 20.905 2.849 1.00 44.56 ATOM 52 CG ASN 36 47.318 22.324 3.444 1.00 44.20 ATOM 53 OD1 ASN 36 47.183 22.473 4.664 1.00 43.49 ATOM 54 ND2 ASN 36 47.288 23.351 2.593 1.00 39.78 ATOM 55 C ASN 36 49.338 21.606 1.159 1.00 45.45 ATOM 56 O ASN 36 50.364 21.110 1.609 1.00 45.50 ATOM 57 N LYS 37 49.334 22.728 0.439 1.00 45.81 ATOM 58 CA LYS 37 50.546 23.501 0.156 1.00 45.78 ATOM 59 CB LYS 37 50.361 24.378 −1.108 1.00 47.74 ATOM 60 CG LYS 37 50.617 23.748 −2.491 1.00 48.95 ATOM 61 CD LYS 37 49.376 23.014 −2.987 1.00 53.72 ATOM 62 CE LYS 37 49.649 22.056 −4.191 1.00 54.90 ATOM 63 NZ LYS 37 48.841 20.741 −4.126 1.00 55.89 ATOM 64 C LYS 37 50.808 24.440 1.326 1.00 45.97 ATOM 65 O LYS 37 51.790 25.187 1.308 1.00 45.48 ATOM 66 N HIS 38 49.897 24.453 2.313 1.00 45.10 ATOM 67 CA HIS 38 49.975 25.401 3.416 1.00 44.15 ATOM 68 CB HIS 38 48.973 26.530 3.159 1.00 44.09 ATOM 69 CG HIS 38 49.226 27.281 1.883 1.00 41.33 ATOM 70 ND1 HIS 38 50.176 28.273 1.786 1.00 38.05 ATOM 71 CE1 HIS 38 50.183 28.755 0.553 1.00 39.46 ATOM 72 NE2 HIS 38 49.266 28.112 −0.152 1.00 38.19 ATOM 73 CD2 HIS 38 48.652 27.186 0.659 1.00 39.28 ATOM 74 C HIS 38 49.743 24.727 4.778 1.00 44.46 ATOM 75 O HIS 38 48.912 25.167 5.569 1.00 44.12 ATOM 76 N VAL 39 50.485 23.647 5.021 1.00 45.16 ATOM 77 CA VAL 39 50.414 22.831 6.240 1.00 46.22 ATOM 78 CB VAL 39 51.230 21.509 6.093 1.00 46.86 ATOM 79 CG1 VAL 39 50.583 20.609 5.071 1.00 46.70 ATOM 80 CG2 VAL 39 52.713 21.774 5.666 1.00 46.70 ATOM 81 C VAL 39 50.853 23.614 7.480 1.00 46.80 ATOM 82 O VAL 39 50.400 23.332 8.581 1.00 46.55 ATOM 83 N ASP 40 51.679 24.637 7.264 1.00 47.39 ATOM 84 CA ASP 40 52.160 25.505 8.313 1.00 48.74 ATOM 85 CB ASP 40 53.379 26.327 7.829 1.00 49.43 ATOM 86 CG ASP 40 53.040 27.305 6.656 1.00 54.95 ATOM 87 OD1 ASP 40 53.547 28.461 6.703 1.00 59.95 ATOM 88 OD2 ASP 40 52.293 26.945 5.698 1.00 56.38 ATOM 89 C ASP 40 51.100 26.423 8.938 1.00 48.10 ATOM 90 O ASP 40 51.456 27.326 9.682 1.00 48.66 ATOM 91 N ARG 41 49.813 26.236 8.634 1.00 46.73 ATOM 92 CA ARG 41 48.770 27.046 9.268 1.00 44.46 ATOM 93 CB ARG 41 48.696 28.427 8.683 1.00 45.28 ATOM 94 CG ARG 41 48.120 28.481 7.262 1.00 47.01 ATOM 95 CD ARG 41 47.634 29.863 7.047 1.00 51.86 ATOM 96 NE ARG 41 48.705 30.821 7.369 1.00 55.98 ATOM 97 CZ ARG 41 49.581 31.297 6.478 1.00 59.14 ATOM 98 NH1 ARG 41 49.515 30.928 5.177 1.00 59.08 ATOM 99 NH2 ARG 41 50.516 32.160 6.893 1.00 57.34 ATOM 100 C ARG 41 47.403 26.424 9.233 1.00 42.72 ATOM 101 O ARG 41 47.114 25.556 8.411 1.00 42.40 ATOM 102 N ASP 42 46.572 26.864 10.168 1.00 40.89 ATOM 103 CA ASP 42 45.205 26.377 10.275 1.00 38.92 ATOM 104 CB ASP 42 44.720 26.367 11.705 1.00 38.95 ATOM 105 CG ASP 42 45.337 25.268 12.540 1.00 40.24 ATOM 106 OD1 ASP 42 46.079 24.436 12.007 1.00 42.34 ATOM 107 OD2 ASP 42 45.064 25.236 13.756 1.00 42.98 ATOM 108 C ASP 42 44.367 27.358 9.507 1.00 37.39 ATOM 109 O ASP 42 44.520 28.571 9.709 1.00 36.84 ATOM 110 N TYR 43 43.541 26.817 8.596 1.00 34.79 ATOM 111 CA TYR 43 42.576 27.570 7.847 1.00 33.24 ATOM 112 CB TYR 43 43.181 28.142 6.561 1.00 33.47 ATOM 113 CG TYR 43 43.705 27.161 5.524 1.00 34.17 ATOM 114 CD1 TYR 43 44.999 26.630 5.606 1.00 36.25 ATOM 115 CE1 TYR 43 45.487 25.757 4.635 1.00 35.81 ATOM 116 CZ TYR 43 44.688 25.425 3.545 1.00 37.09 ATOM 117 OH TYR 43 45.151 24.559 2.569 1.00 37.14 ATOM 118 CE2 TYR 43 43.414 25.942 3.446 1.00 36.49 ATOM 119 CD2 TYR 43 42.934 26.815 4.426 1.00 35.18 ATOM 120 C TYR 43 41.379 26.684 7.607 1.00 32.10 ATOM 121 O TYR 43 41.468 25.484 7.762 1.00 31.66 ATOM 122 N PHE 44 40.236 27.300 7.321 1.00 31.26 ATOM 123 CA PHE 44 38.988 26.597 7.094 1.00 29.74 ATOM 124 CB PHE 44 37.869 27.322 7.830 1.00 30.26 ATOM 125 CG PHE 44 37.339 26.589 9.038 1.00 29.04 ATOM 126 CD1 PHE 44 37.456 27.157 10.318 1.00 30.15 ATOM 127 CE1 PHE 44 36.968 26.497 11.439 1.00 26.25 ATOM 128 CZ PHE 44 36.325 25.269 11.274 1.00 28.00 ATOM 129 CE2 PHE 44 36.215 24.701 10.006 1.00 27.40 ATOM 130 CD2 PHE 44 36.716 25.372 8.905 1.00 27.57 ATOM 131 C PHE 44 38.668 26.584 5.603 1.00 29.31 ATOM 132 O PHE 44 38.965 27.529 4.848 1.00 26.50 ATOM 133 N VAL 45 38.114 25.465 5.185 1.00 29.60 ATOM 134 CA VAL 45 37.584 25.321 3.852 1.00 28.86 ATOM 135 CB VAL 45 38.335 24.282 3.063 1.00 31.08 ATOM 136 CG1 VAL 45 39.885 24.558 3.120 1.00 28.95 ATOM 137 CG2 VAL 45 37.856 24.313 1.577 1.00 31.47 ATOM 138 C VAL 45 36.179 24.854 4.031 1.00 28.57 ATOM 139 O VAL 45 35.960 23.799 4.648 1.00 28.70 ATOM 140 N LYS 46 35.231 25.669 3.548 1.00 26.60 ATOM 141 CA LYS 46 33.826 25.318 3.495 1.00 26.09 ATOM 142 CB LYS 46 32.941 26.480 3.964 1.00 24.81 ATOM 143 CG LYS 46 31.427 26.115 3.984 1.00 26.07 ATOM 144 CD LYS 46 30.531 27.097 4.709 1.00 26.57 ATOM 145 CE LYS 46 30.861 28.589 4.348 1.00 33.60 ATOM 146 NZ LYS 46 29.734 29.507 4.817 1.00 35.91 ATOM 147 C LYS 46 33.364 24.893 2.060 1.00 25.98 ATOM 148 O LYS 46 33.648 25.585 1.079 1.00 25.25 ATOM 149 N PHE 47 32.632 23.771 1.969 1.00 25.69 ATOM 150 CA PHE 47 31.781 23.461 0.804 1.00 25.78 ATOM 151 CB PHE 47 32.013 22.023 0.346 1.00 26.07 ATOM 152 CG PHE 47 33.463 21.733 0.066 1.00 25.38 ATOM 153 CD1 PHE 47 34.320 21.390 1.105 1.00 29.07 ATOM 154 CE1 PHE 47 35.721 21.147 0.851 1.00 29.50 ATOM 155 CZ PHE 47 36.214 21.277 −0.450 1.00 26.40 ATOM 156 CE2 PHE 47 35.369 21.631 −1.463 1.00 24.93 ATOM 157 CD2 PHE 47 33.991 21.858 −1.213 1.00 27.19 ATOM 158 C PHE 47 30.316 23.676 1.087 1.00 26.50 ATOM 159 O PHE 47 29.767 23.098 2.041 1.00 26.93 ATOM 160 N ASN 48 29.687 24.497 0.252 1.00 26.28 ATOM 161 CA ASN 48 28.235 24.684 0.232 1.00 26.70 ATOM 162 CB ASN 48 27.922 26.101 −0.167 1.00 26.63 ATOM 163 CG ASN 48 28.611 27.143 0.712 1.00 27.75 ATOM 164 OD1 ASN 48 28.397 27.164 1.918 1.00 26.90 ATOM 165 ND2 ASN 48 29.402 28.026 0.107 1.00 21.97 ATOM 166 C ASN 48 27.658 23.762 −0.816 1.00 27.42 ATOM 167 O ASN 48 28.023 23.869 −2.013 1.00 27.74 ATOM 168 N CYS 49 26.787 22.842 −0.398 1.00 27.81 ATOM 169 CA CYS 49 26.273 21.767 −1.259 1.00 27.79 ATOM 170 CB CYS 49 26.793 20.400 −0.837 1.00 27.88 ATOM 171 SG CYS 49 28.577 20.421 −0.479 1.00 33.42 ATOM 172 C CYS 49 24.770 21.767 −1.237 1.00 27.42 ATOM 173 O CYS 49 24.198 20.917 −0.654 1.00 27.36 ATOM 174 N PRO 50 24.124 22.730 −1.924 1.00 28.25 ATOM 175 CA PRO 50 22.686 22.818 −1.939 1.00 28.95 ATOM 176 CB PRO 50 22.443 24.247 −2.402 1.00 28.68 ATOM 177 CG PRO 50 23.565 24.504 −3.259 1.00 29.66 ATOM 178 CD PRO 50 24.733 23.791 −2.741 1.00 27.22 ATOM 179 C PRO 50 22.014 21.801 −2.884 1.00 30.16 ATOM 180 O PRO 50 20.791 21.723 −2.931 1.00 30.23 ATOM 181 N GLU 51 22.771 20.946 −3.565 1.00 30.75 ATOM 182 CA GLU 51 22.071 19.985 −4.423 1.00 30.88 ATOM 183 CB GLU 51 22.673 20.023 −5.841 1.00 30.96 ATOM 184 CG GLU 51 22.258 21.350 −6.510 1.00 30.27 ATOM 185 CD GLU 51 23.061 21.699 −7.748 1.00 34.08 ATOM 186 OE1 GLU 51 23.852 20.862 −8.240 1.00 37.55 ATOM 187 OE2 GLU 51 22.926 22.838 −8.208 1.00 33.25 ATOM 188 C GLU 51 21.912 18.575 −3.887 1.00 31.31 ATOM 189 O GLU 51 21.585 17.655 −4.633 1.00 32.45 ATOM 190 N PHE 52 22.124 18.375 −2.589 1.00 30.57 ATOM 191 CA PHE 52 22.131 17.018 −2.077 1.00 29.32 ATOM 192 CB PHE 52 22.611 16.980 −0.630 1.00 29.38 ATOM 193 CG PHE 52 22.723 15.591 −0.098 1.00 28.90 ATOM 194 CD1 PHE 52 23.853 14.826 −0.386 1.00 25.64 ATOM 195 CE1 PHE 52 23.970 13.539 0.110 1.00 26.75 ATOM 196 CZ PHE 52 22.931 12.979 0.832 1.00 25.36 ATOM 197 CE2 PHE 52 21.775 13.732 1.108 1.00 28.36 ATOM 198 CD2 PHE 52 21.671 15.023 0.633 1.00 26.05 ATOM 199 C PHE 52 20.763 16.399 −2.163 1.00 29.42 ATOM 200 O PHE 52 19.775 17.081 −1.906 1.00 29.42 ATOM 201 N THR 66 20.596 20.942 1.819 1.00 25.39 ATOM 202 CA THR 66 21.827 21.677 1.651 1.00 27.61 ATOM 203 CB THR 66 21.592 23.154 1.861 1.00 27.25 ATOM 204 OG1 THR 66 20.752 23.615 0.820 1.00 30.69 ATOM 205 CG2 THR 66 22.868 23.915 1.735 1.00 31.40 ATOM 206 C THR 66 22.780 21.182 2.743 1.00 28.30 ATOM 207 O THR 66 22.431 21.123 3.933 1.00 28.10 ATOM 208 N ILE 67 23.989 20.838 2.343 1.00 28.94 ATOM 209 CA ILE 67 24.990 20.392 3.301 1.00 28.94 ATOM 210 CB ILE 67 25.489 18.986 2.870 1.00 29.43 ATOM 211 CG1 ILE 67 24.280 18.048 2.848 1.00 28.57 ATOM 212 CD1 ILE 67 24.620 16.709 2.398 1.00 29.91 ATOM 213 CG2 ILE 67 26.608 18.471 3.775 1.00 29.92 ATOM 214 C ILE 67 26.077 21.424 3.311 1.00 28.85 ATOM 215 O ILE 67 26.424 21.922 2.236 1.00 29.21 ATOM 216 N TYR 68 26.586 21.770 4.505 1.00 28.85 ATOM 217 CA TYR 68 27.710 22.685 4.692 1.00 27.65 ATOM 218 CB TYR 68 27.343 23.892 5.554 1.00 28.00 ATOM 219 CG TYR 68 26.169 24.669 4.985 1.00 27.25 ATOM 220 CD1 TYR 68 24.864 24.443 5.411 1.00 23.97 ATOM 221 CE1 TYR 68 23.774 25.180 4.854 1.00 28.38 ATOM 222 CZ TYR 68 24.039 26.098 3.817 1.00 28.49 ATOM 223 OH TYR 68 23.061 26.851 3.171 1.00 26.21 ATOM 224 CE2 TYR 68 25.356 26.292 3.374 1.00 29.17 ATOM 225 CD2 TYR 68 26.388 25.605 3.943 1.00 27.85 ATOM 226 C TYR 68 28.791 21.837 5.337 1.00 29.20 ATOM 227 O TYR 68 28.563 21.226 6.411 1.00 29.47 ATOM 228 N ILE 69 29.938 21.743 4.665 1.00 28.12 ATOM 229 CA ILE 69 30.978 20.873 5.122 1.00 28.68 ATOM 230 CB ILE 69 31.367 19.781 4.122 1.00 29.11 ATOM 231 CG1 ILE 69 30.180 18.885 3.756 1.00 30.41 ATOM 232 CD1 ILE 69 30.590 17.811 2.756 1.00 32.90 ATOM 233 CG2 ILE 69 32.443 18.900 4.743 1.00 27.69 ATOM 234 C ILE 69 32.182 21.770 5.276 1.00 28.58 ATOM 235 O ILE 69 32.658 22.336 4.283 1.00 29.06 ATOM 236 N SER 70 32.661 21.910 6.508 1.00 27.09 ATOM 237 CA SER 70 33.785 22.801 6.780 1.00 28.38 ATOM 238 CB SER 70 33.358 23.914 7.713 1.00 27.46 ATOM 239 OG SER 70 32.356 24.705 7.126 1.00 31.79 ATOM 240 C SER 70 34.885 22.010 7.455 1.00 29.12 ATOM 241 O SER 70 34.616 21.271 8.405 1.00 29.98 ATOM 242 N TYR 71 36.117 22.155 7.009 1.00 29.92 ATOM 243 CA TYR 71 37.160 21.367 7.623 1.00 30.12 ATOM 244 CB TYR 71 37.288 20.027 6.896 1.00 31.24 ATOM 245 CG TYR 71 38.057 20.049 5.624 1.00 34.13 ATOM 246 CD1 TYR 71 37.440 20.384 4.411 1.00 36.91 ATOM 247 CE1 TYR 71 38.177 20.415 3.205 1.00 37.18 ATOM 248 CZ TYR 71 39.501 20.082 3.228 1.00 35.60 ATOM 249 OH TYR 71 40.238 20.092 2.087 1.00 35.76 ATOM 250 CE2 TYR 71 40.119 19.712 4.422 1.00 35.87 ATOM 251 CD2 TYR 71 39.384 19.678 5.604 1.00 33.90 ATOM 252 C TYR 71 38.443 22.145 7.689 1.00 30.03 ATOM 253 O TYR 71 38.617 23.077 6.913 1.00 30.38 ATOM 254 N ILE 72 39.327 21.796 8.633 1.00 30.54 ATOM 255 CA ILE 72 40.676 22.345 8.691 1.00 30.16 ATOM 256 CB ILE 72 41.056 22.831 10.099 1.00 31.07 ATOM 257 CG1 ILE 72 40.217 24.025 10.531 1.00 27.76 ATOM 258 CD1 ILE 72 40.453 24.492 11.993 1.00 28.57 ATOM 259 CG2 ILE 72 42.558 23.251 10.101 1.00 30.30 ATOM 260 C ILE 72 41.659 21.225 8.246 1.00 32.37 ATOM 261 O ILE 72 41.742 20.164 8.852 1.00 32.41 ATOM 262 N PRO 73 42.327 21.412 7.116 1.00 33.84 ATOM 263 CA PRO 73 43.051 20.259 6.658 1.00 34.85 ATOM 264 CB PRO 73 43.381 20.618 5.205 1.00 34.72 ATOM 265 CG PRO 73 43.443 22.092 5.192 1.00 32.26 ATOM 266 CD PRO 73 42.463 22.566 6.201 1.00 33.49 ATOM 267 C PRO 73 44.350 20.105 7.385 1.00 36.57 ATOM 268 O PRO 73 44.896 21.079 7.914 1.00 37.10 ATOM 269 N ASP 74 44.887 18.898 7.337 1.00 39.32 ATOM 270 CA ASP 74 46.278 18.710 7.682 1.00 41.53 ATOM 271 CB ASP 74 46.489 17.511 8.609 1.00 41.65 ATOM 272 CG ASP 74 47.908 17.456 9.153 1.00 45.08 ATOM 273 OD1 ASP 74 48.318 16.365 9.542 1.00 47.84 ATOM 274 OD2 ASP 74 48.633 18.499 9.183 1.00 49.17 ATOM 275 C ASP 74 47.079 18.557 6.397 1.00 42.93 ATOM 276 O ASP 74 47.587 19.541 5.858 1.00 43.72 ATOM 277 N GLU 75 47.198 17.344 5.883 1.00 44.15 ATOM 278 CA GLU 75 48.095 17.178 4.750 1.00 45.93 ATOM 279 CB GLU 75 49.132 16.106 5.039 1.00 45.93 ATOM 280 CG GLU 75 50.354 16.748 5.666 1.00 51.03 ATOM 281 CD GLU 75 50.993 15.907 6.756 1.00 58.31 ATOM 282 OE1 GLU 75 50.383 14.879 7.164 1.00 58.75 ATOM 283 OE2 GLU 75 52.109 16.291 7.207 1.00 59.99 ATOM 284 C GLU 75 47.394 16.986 3.421 1.00 45.59 ATOM 285 O GLU 75 47.938 17.364 2.378 1.00 46.34 ATOM 286 N LYS 76 46.193 16.419 3.474 1.00 44.77 ATOM 287 CA LYS 76 45.454 16.123 2.283 1.00 43.61 ATOM 288 CB LYS 76 45.051 14.647 2.282 1.00 44.91 ATOM 289 CG LYS 76 46.234 13.643 2.381 1.00 45.34 ATOM 290 CD LYS 76 45.780 12.299 1.792 1.00 51.11 ATOM 291 CE LYS 76 46.829 11.166 1.858 1.00 50.49 ATOM 292 NZ LYS 76 46.536 10.316 3.046 1.00 52.97 ATOM 293 C LYS 76 44.248 17.077 2.154 1.00 42.76 ATOM 294 O LYS 76 43.717 17.584 3.148 1.00 41.56 ATOM 295 N MET 77 43.841 17.344 0.922 1.00 41.45 ATOM 296 CA MET 77 42.650 18.164 0.656 1.00 41.10 ATOM 297 CB MET 77 43.093 19.509 0.165 1.00 39.55 ATOM 298 CG MET 77 43.828 20.154 1.273 1.00 39.95 ATOM 299 SD MET 77 44.204 21.847 1.049 1.00 46.16 ATOM 300 CE MET 77 42.562 22.591 1.091 1.00 41.83 ATOM 301 C MET 77 41.703 17.479 −0.303 1.00 39.69 ATOM 302 O MET 77 42.131 16.872 −1.244 1.00 41.26 ATOM 303 N VAL 78 40.415 17.523 −0.047 1.00 39.01 ATOM 304 CA VAL 78 39.491 16.834 −0.898 1.00 37.71 ATOM 305 CB VAL 78 38.110 16.612 −0.201 1.00 37.41 ATOM 306 CG1 VAL 78 37.490 17.927 0.314 1.00 38.48 ATOM 307 CG2 VAL 78 37.137 15.886 −1.096 1.00 36.33 ATOM 308 C VAL 78 39.348 17.639 −2.195 1.00 38.30 ATOM 309 O VAL 78 39.364 18.877 −2.174 1.00 36.79 ATOM 310 N GLU 79 39.210 16.919 −3.311 1.00 38.71 ATOM 311 CA GLU 79 39.003 17.526 −4.617 1.00 39.26 ATOM 312 CB GLU 79 39.659 16.680 −5.718 1.00 39.82 ATOM 313 CG GLU 79 39.982 17.449 −7.024 1.00 41.73 ATOM 314 CD GLU 79 38.723 17.767 −7.835 1.00 44.42 ATOM 315 OE1 GLU 79 37.939 16.813 −8.052 1.00 45.96 ATOM 316 OE2 GLU 79 38.489 18.959 −8.212 1.00 43.13 ATOM 317 C GLU 79 37.514 17.795 −4.842 1.00 39.15 ATOM 318 O GLU 79 36.664 16.920 −4.639 1.00 39.58 ATOM 319 N SER 80 37.194 19.026 −5.229 1.00 39.14 ATOM 320 CA SER 80 35.806 19.457 −5.389 1.00 40.45 ATOM 321 CB SER 80 35.755 20.902 −5.900 1.00 40.98 ATOM 322 OG SER 80 34.415 21.367 −5.840 1.00 43.76 ATOM 323 C SER 80 34.941 18.577 −6.283 1.00 39.97 ATOM 324 O SER 80 33.780 18.316 −5.966 1.00 40.91 ATOM 325 N LYS 81 35.486 18.156 −7.423 1.00 40.44 ATOM 326 CA LYS 81 34.732 17.371 −8.394 1.00 39.60 ATOM 327 CB LYS 81 35.408 17.429 −9.777 1.00 40.23 ATOM 328 CG LYS 81 34.769 16.474 −10.876 1.00 41.71 ATOM 329 CD LYS 81 35.511 16.544 −12.254 1.00 43.35 ATOM 330 CE LYS 81 36.604 15.466 −12.451 1.00 51.29 ATOM 331 NZ LYS 81 36.033 14.133 −12.943 1.00 51.65 ATOM 332 C LYS 81 34.523 15.948 −7.890 1.00 37.68 ATOM 333 O LYS 81 33.413 15.407 −8.043 1.00 36.22 ATOM 334 N SER 82 35.535 15.361 −7.230 1.00 36.37 ATOM 335 CA SER 82 35.314 14.058 −6.558 1.00 36.60 ATOM 336 CB SER 82 36.600 13.464 −5.957 1.00 37.83 ATOM 337 OG SER 82 37.157 14.220 −4.878 1.00 38.89 ATOM 338 C SER 82 34.187 14.121 −5.520 1.00 36.09 ATOM 339 O SER 82 33.285 13.235 −5.505 1.00 35.12 ATOM 340 N LEU 83 34.206 15.197 −4.717 1.00 34.52 ATOM 341 CA LEU 83 33.134 15.471 −3.740 1.00 34.68 ATOM 342 CB LEU 83 33.417 16.745 −2.912 1.00 34.38 ATOM 343 CG LEU 83 32.458 17.011 −1.726 1.00 35.18 ATOM 344 CD1 LEU 83 32.349 15.798 −0.718 1.00 28.46 ATOM 345 CD2 LEU 83 32.833 18.311 −1.025 1.00 33.77 ATOM 346 C LEU 83 31.747 15.531 −4.365 1.00 34.51 ATOM 347 O LEU 83 30.777 14.995 −3.830 1.00 33.59 ATOM 348 N LYS 84 31.665 16.190 −5.511 1.00 35.31 ATOM 349 CA LYS 84 30.443 16.288 −6.256 1.00 35.99 ATOM 350 CB LYS 84 30.696 17.180 −7.486 1.00 35.66 ATOM 351 CG LYS 84 29.608 17.168 −8.519 1.00 37.97 ATOM 352 CD LYS 84 30.105 17.866 −9.820 1.00 37.55 ATOM 353 CE LYS 84 30.536 16.853 −10.863 1.00 39.56 ATOM 354 NZ LYS 84 30.531 17.379 −12.263 1.00 41.94 ATOM 355 C LYS 84 29.988 14.891 −6.643 1.00 36.20 ATOM 356 O LYS 84 28.830 14.516 −6.421 1.00 36.55 ATOM 357 N LEU 85 30.906 14.110 −7.204 1.00 36.49 ATOM 358 CA LEU 85 30.630 12.726 −7.536 1.00 36.64 ATOM 359 CB LEU 85 31.857 12.117 −8.230 1.00 36.98 ATOM 360 CG LEU 85 32.158 12.259 −9.744 1.00 39.95 ATOM 361 CD1 LEU 85 31.419 13.417 −10.429 1.00 41.97 ATOM 362 CD2 LEU 85 33.678 12.359 −10.048 1.00 37.78 ATOM 363 C LEU 85 30.259 11.917 −6.304 1.00 36.28 ATOM 364 O LEU 85 29.290 11.175 −6.303 1.00 35.95 ATOM 365 N TYR 86 31.011 12.057 −5.222 1.00 36.01 ATOM 366 CA TYR 86 30.610 11.368 −3.993 1.00 35.20 ATOM 367 CB TYR 86 31.600 11.712 −2.904 1.00 36.62 ATOM 368 CG TYR 86 31.282 11.124 −1.574 1.00 38.86 ATOM 369 CD1 TYR 86 31.237 9.726 −1.378 1.00 37.52 ATOM 370 CE1 TYR 86 30.940 9.206 −0.104 1.00 39.96 ATOM 371 CZ TYR 86 30.720 10.110 0.976 1.00 39.92 ATOM 372 OH TYR 86 30.397 9.693 2.239 1.00 40.85 ATOM 373 CE2 TYR 86 30.771 11.465 0.780 1.00 38.61 ATOM 374 CD2 TYR 86 31.047 11.966 −0.484 1.00 39.08 ATOM 375 C TYR 86 29.181 11.706 −3.573 1.00 34.75 ATOM 376 O TYR 86 28.344 10.833 −3.312 1.00 34.10 ATOM 377 N LEU 87 28.844 12.985 −3.544 1.00 35.13 ATOM 378 CA LEU 87 27.466 13.332 −3.154 1.00 35.00 ATOM 379 CB LEU 87 27.341 14.791 −2.760 1.00 35.12 ATOM 380 CG LEU 87 28.271 15.301 −1.653 1.00 36.20 ATOM 381 CD1 LEU 87 28.215 16.813 −1.558 1.00 32.77 ATOM 382 CD2 LEU 87 27.935 14.650 −0.291 1.00 34.84 ATOM 383 C LEU 87 26.412 12.909 −4.174 1.00 35.54 ATOM 384 O LEU 87 25.281 12.527 −3.792 1.00 33.45 ATOM 385 N PHE 88 26.763 12.931 −5.472 1.00 37.14 ATOM 386 CA PHE 88 25.878 12.277 −6.476 1.00 38.55 ATOM 387 CB PHE 88 26.482 12.268 −7.899 1.00 40.19 ATOM 388 CG PHE 88 26.455 13.606 −8.601 1.00 44.41 ATOM 389 CD1 PHE 88 27.249 13.818 −9.737 1.00 45.28 ATOM 390 CE1 PHE 88 27.244 15.049 −10.379 1.00 46.31 ATOM 391 CZ PHE 88 26.440 16.094 −9.893 1.00 45.62 ATOM 392 CE2 PHE 88 25.650 15.896 −8.766 1.00 46.65 ATOM 393 CD2 PHE 88 25.655 14.659 −8.129 1.00 46.40 ATOM 394 C PHE 88 25.611 10.821 −6.080 1.00 37.62 ATOM 395 O PHE 88 24.514 10.328 −6.258 1.00 37.12 ATOM 396 N LEU 108 35.056 11.321 4.727 1.00 34.95 ATOM 397 CA LEU 108 36.039 12.400 4.525 1.00 35.52 ATOM 398 CB LEU 108 35.401 13.778 4.502 1.00 35.06 ATOM 399 CG LEU 108 34.528 14.026 3.274 1.00 36.44 ATOM 400 CD1 LEU 108 33.619 15.234 3.575 1.00 32.82 ATOM 401 CD2 LEU 108 35.424 14.287 2.051 1.00 31.89 ATOM 402 C LEU 108 37.189 12.363 5.498 1.00 35.31 ATOM 403 O LEU 108 38.324 12.733 5.147 1.00 35.77 ATOM 404 N ILE 109 36.902 11.932 6.719 1.00 35.87 ATOM 405 CA ILE 109 37.967 11.681 7.697 1.00 36.24 ATOM 406 CB ILE 109 37.423 11.276 9.099 1.00 36.35 ATOM 407 CG1 ILE 109 36.700 12.451 9.785 1.00 34.30 ATOM 408 CD1 ILE 109 35.538 12.010 10.760 1.00 34.62 ATOM 409 CG2 ILE 109 38.606 10.707 10.022 1.00 34.86 ATOM 410 C ILE 109 38.947 10.612 7.164 1.00 37.64 ATOM 411 O ILE 109 40.149 10.863 7.137 1.00 37.15 ATOM 412 N LEU 111 39.554 9.545 3.956 1.00 43.50 ATOM 413 CA LEU 111 40.280 10.206 2.846 1.00 42.66 ATOM 414 CB LEU 111 39.290 10.957 1.959 1.00 42.51 ATOM 415 CG LEU 111 39.918 11.764 0.825 1.00 43.15 ATOM 416 CD1 LEU 111 40.264 10.831 −0.342 1.00 40.98 ATOM 417 CD2 LEU 111 38.960 12.914 0.369 1.00 41.57 ATOM 418 C LEU 111 41.349 11.201 3.254 1.00 42.41 ATOM 419 O LEU 111 42.421 11.251 2.658 1.00 42.41 ATOM 420 N MET 112 41.066 12.021 4.252 1.00 42.62 ATOM 421 CA MET 112 41.880 13.247 4.443 1.00 43.13 ATOM 422 CB MET 112 40.959 14.465 4.468 1.00 42.51 ATOM 423 CG MET 112 40.316 14.825 3.152 1.00 44.00 ATOM 424 SD MET 112 39.532 16.435 3.404 1.00 44.98 ATOM 425 CE MET 112 41.061 17.283 3.656 1.00 47.38 ATOM 426 C MET 112 42.723 13.327 5.699 1.00 42.32 ATOM 427 O MET 112 43.693 14.104 5.770 1.00 41.25 ATOM 428 N ASP 113 42.308 12.556 6.706 1.00 42.80 ATOM 429 CA ASP 113 42.803 12.710 8.077 1.00 42.67 ATOM 430 CB ASP 113 44.013 11.794 8.319 1.00 44.33 ATOM 431 CG ASP 113 43.688 10.310 7.972 1.00 51.81 ATOM 432 OD1 ASP 113 42.821 9.678 8.674 1.00 56.07 ATOM 433 OD2 ASP 113 44.262 9.782 6.963 1.00 58.14 ATOM 434 C ASP 113 43.046 14.189 8.406 1.00 40.37 ATOM 435 O ASP 113 44.209 14.608 8.587 1.00 40.76 ATOM 436 N PRO 114 41.934 14.982 8.520 1.00 38.64 ATOM 437 CA PRO 114 41.934 16.449 8.721 1.00 37.02 ATOM 438 CB PRO 114 40.504 16.827 8.300 1.00 36.78 ATOM 439 CG PRO 114 39.690 15.693 8.712 1.00 36.74 ATOM 440 CD PRO 114 40.547 14.456 8.514 1.00 37.94 ATOM 441 C PRO 114 42.196 16.836 10.201 1.00 35.69 ATOM 442 O PRO 114 41.920 16.015 11.060 1.00 36.68 ATOM 443 N ARG 115 42.727 18.031 10.508 1.00 32.67 ATOM 444 CA ARG 115 42.737 18.556 11.887 1.00 30.50 ATOM 445 CB ARG 115 43.463 19.888 11.961 1.00 28.63 ATOM 446 CG ARG 115 44.906 19.769 11.608 1.00 28.18 ATOM 447 CD ARG 115 45.652 21.093 11.542 1.00 29.81 ATOM 448 NE ARG 115 46.874 20.853 10.779 1.00 31.31 ATOM 449 CZ ARG 115 47.599 21.756 10.133 1.00 33.47 ATOM 450 NH1 ARG 115 47.318 23.056 10.158 1.00 31.18 ATOM 451 NH2 ARG 115 48.640 21.329 9.439 1.00 37.87 ATOM 452 C ARG 115 41.317 18.679 12.521 1.00 31.30 ATOM 453 O ARG 115 41.059 18.176 13.614 1.00 30.15 ATOM 454 N TYR 116 40.382 19.325 11.802 1.00 32.16 ATOM 455 CA TYR 116 38.970 19.428 12.212 1.00 30.52 ATOM 456 CB TYR 116 38.754 20.794 12.826 1.00 29.77 ATOM 457 CG TYR 116 37.326 21.039 13.215 1.00 31.85 ATOM 458 CD1 TYR 116 36.812 20.513 14.408 1.00 30.34 ATOM 459 CE1 TYR 116 35.481 20.738 14.761 1.00 31.25 ATOM 460 CZ TYR 116 34.645 21.495 13.916 1.00 30.45 ATOM 461 OH TYR 116 33.333 21.695 14.289 1.00 33.06 ATOM 462 CE2 TYR 116 35.134 22.033 12.740 1.00 31.10 ATOM 463 CD2 TYR 116 36.460 21.807 12.383 1.00 28.87 ATOM 464 C TYR 116 38.024 19.208 11.014 1.00 30.65 ATOM 465 O TYR 116 38.345 19.614 9.892 1.00 30.59 ATOM 466 N ILE 117 36.858 18.598 11.241 1.00 28.73 ATOM 467 CA ILE 117 35.854 18.601 10.231 1.00 28.16 ATOM 468 CB ILE 117 35.966 17.372 9.240 1.00 29.12 ATOM 469 CG1 ILE 117 34.970 17.520 8.055 1.00 26.39 ATOM 470 CD1 ILE 117 35.060 16.421 6.957 1.00 27.24 ATOM 471 CG2 ILE 117 35.787 16.049 9.984 1.00 26.00 ATOM 472 C ILE 117 34.465 18.682 10.879 1.00 28.42 ATOM 473 O ILE 117 34.260 18.187 11.981 1.00 28.48 ATOM 474 N GLU 118 33.529 19.334 10.195 1.00 27.95 ATOM 475 CA GLU 118 32.112 19.252 10.530 1.00 28.61 ATOM 476 CB GLU 118 31.668 20.450 11.359 1.00 28.35 ATOM 477 CG GLU 118 32.180 21.743 10.808 1.00 33.29 ATOM 478 CD GLU 118 31.593 22.927 11.498 1.00 36.95 ATOM 479 OE1 GLU 118 31.715 23.099 12.730 1.00 37.45 ATOM 480 OE2 GLU 118 30.996 23.727 10.782 1.00 42.14 ATOM 481 C GLU 118 31.266 19.141 9.266 1.00 28.90 ATOM 482 O GLU 118 31.639 19.581 8.163 1.00 29.81 ATOM 483 N VAL 119 30.133 18.505 9.428 1.00 27.93 ATOM 484 CA VAL 119 29.186 18.389 8.394 1.00 26.65 ATOM 485 CB VAL 119 29.072 16.936 7.927 1.00 27.76 ATOM 486 CG1 VAL 119 27.955 16.810 6.857 1.00 25.00 ATOM 487 CG2 VAL 119 30.419 16.408 7.377 1.00 24.38 ATOM 488 C VAL 119 27.852 18.812 9.041 1.00 27.53 ATOM 489 O VAL 119 27.443 18.201 10.034 1.00 26.65 ATOM 490 N TRP 120 27.207 19.855 8.480 1.00 26.32 ATOM 491 CA TRP 120 25.868 20.268 8.865 1.00 25.22 ATOM 492 CB TRP 120 25.916 21.710 9.300 1.00 24.66 ATOM 493 CG TRP 120 24.772 22.213 10.090 1.00 23.83 ATOM 494 CD1 TRP 120 23.579 21.635 10.258 1.00 24.59 ATOM 495 NE1 TRP 120 22.795 22.427 11.084 1.00 29.40 ATOM 496 CE2 TRP 120 23.501 23.551 11.434 1.00 24.59 ATOM 497 CD2 TRP 120 24.753 23.450 10.825 1.00 22.94 ATOM 498 CE3 TRP 120 25.730 24.447 11.087 1.00 25.61 ATOM 499 CZ3 TRP 120 25.375 25.543 11.896 1.00 25.81 ATOM 500 CH2 TRP 120 24.079 25.624 12.463 1.00 21.59 ATOM 501 CZ2 TRP 120 23.149 24.625 12.276 1.00 22.78 ATOM 502 C TRP 120 24.914 20.147 7.694 1.00 25.58 ATOM 503 O TRP 120 25.110 20.784 6.644 1.00 24.48 ATOM 504 N GLY 121 23.899 19.321 7.876 1.00 24.73 ATOM 505 CA GLY 121 22.924 19.091 6.873 1.00 25.93 ATOM 506 C GLY 121 21.616 19.716 7.277 1.00 27.00 ATOM 507 O GLY 121 21.233 19.681 8.450 1.00 27.37 ATOM 508 N ASN 136 30.653 16.831 14.148 1.00 27.30 ATOM 509 CA ASN 136 32.002 17.319 13.914 1.00 29.52 ATOM 510 CB ASN 136 32.146 18.721 14.480 1.00 30.32 ATOM 511 CG ASN 136 32.092 18.720 15.989 1.00 33.09 ATOM 512 OD1 ASN 136 31.961 17.636 16.598 1.00 33.19 ATOM 513 ND2 ASN 136 32.190 19.908 16.606 1.00 29.70 ATOM 514 C ASN 136 33.094 16.332 14.492 1.00 30.64 ATOM 515 O ASN 136 32.777 15.211 14.918 1.00 30.23 ATOM 516 N TYR 137 34.354 16.737 14.516 1.00 31.44 ATOM 517 CA TYR 137 35.400 15.800 14.836 1.00 33.26 ATOM 518 CB TYR 137 35.489 14.757 13.753 1.00 33.53 ATOM 519 CG TYR 137 36.833 14.100 13.657 1.00 37.68 ATOM 520 CD1 TYR 137 37.882 14.695 12.916 1.00 39.03 ATOM 521 CE1 TYR 137 39.122 14.089 12.833 1.00 38.62 ATOM 522 CZ TYR 137 39.312 12.858 13.475 1.00 37.04 ATOM 523 OH TYR 137 40.525 12.236 13.388 1.00 37.95 ATOM 524 CE2 TYR 137 38.311 12.257 14.205 1.00 39.58 ATOM 525 CD2 TYR 137 37.077 12.876 14.306 1.00 39.01 ATOM 526 C TYR 137 36.684 16.558 14.878 1.00 34.30 ATOM 527 O TYR 137 36.897 17.336 13.999 1.00 34.65 ATOM 528 N GLY 138 37.514 16.329 15.904 1.00 34.97 ATOM 529 CA GLY 138 38.871 16.847 16.012 1.00 36.70 ATOM 530 C GLY 138 39.852 15.671 16.087 1.00 38.86 ATOM 531 O GLY 138 39.526 14.615 16.616 1.00 39.30 ATOM 532 N ARG 151 32.649 23.502 19.711 1.00 30.58 ATOM 533 CA ARG 151 31.679 23.869 18.629 1.00 31.25 ATOM 534 CB ARG 151 32.270 23.750 17.213 1.00 29.31 ATOM 535 CG ARG 151 33.403 24.722 17.014 1.00 29.65 ATOM 536 CD ARG 151 34.070 24.685 15.627 1.00 33.04 ATOM 537 NE ARG 151 33.214 25.051 14.483 1.00 34.09 ATOM 538 CZ ARG 151 33.217 26.222 13.823 1.00 29.45 ATOM 539 NH1 ARG 151 34.015 27.264 14.154 1.00 18.79 ATOM 540 NH2 ARG 151 32.400 26.339 12.797 1.00 26.66 ATOM 541 C ARG 151 30.417 23.061 18.793 1.00 31.29 ATOM 542 O ARG 151 29.337 23.531 18.460 1.00 31.42 ATOM 543 N ILE 162 12.415 29.040 11.003 1.00 29.30 ATOM 544 CA ILE 162 11.966 28.158 9.973 1.00 30.78 ATOM 545 CB ILE 162 12.415 26.699 10.241 1.00 30.32 ATOM 546 CG1 ILE 162 13.955 26.574 10.160 1.00 32.82 ATOM 547 CD1 ILE 162 14.639 26.722 8.752 1.00 30.34 ATOM 548 CG2 ILE 162 11.698 25.722 9.318 1.00 29.66 ATOM 549 C ILE 162 10.438 28.188 9.964 1.00 31.75 ATOM 550 O ILE 162 9.826 28.114 11.040 1.00 31.45 ATOM 551 O6 GDQ 201 39.880 25.293 −6.152 1.00 46.27 ATOM 552 C6 GDQ 201 39.593 23.968 −5.959 1.00 47.77 ATOM 553 N1 GDQ 201 39.601 23.364 −4.728 1.00 47.90 ATOM 554 C5 GDQ 201 39.301 23.178 −7.050 1.00 48.17 ATOM 555 C7 GDQ 201 39.166 23.330 −8.414 1.00 49.49 ATOM 556 C77 GDQ 201 39.375 24.484 −9.040 1.00 48.63 ATOM 557 N77 GDQ 201 39.668 25.525 −9.571 1.00 53.62 ATOM 558 C8 GDQ 201 38.829 22.148 −9.069 1.00 47.67 ATOM 559 N9 GDQ 201 38.739 21.226 −8.070 1.00 46.70 ATOM 560 C4 GDQ 201 39.015 21.838 −6.880 1.00 47.89 ATOM 561 N3 GDQ 201 39.029 21.264 −5.651 1.00 47.83 ATOM 562 C2 GDQ 201 39.318 22.021 −4.572 1.00 48.19 ATOM 563 N2 GDQ 201 39.322 21.396 −3.361 1.00 46.97 ATOM 564 N GLU 25 49.175 37.893 −15.307 1.00 54.82 ATOM 565 CA GLU 25 49.977 36.804 −14.720 1.00 53.68 ATOM 566 CB GLU 25 51.192 36.541 −15.595 1.00 54.71 ATOM 567 CG GLU 25 50.885 36.602 −17.100 1.00 59.15 ATOM 568 CD GLU 25 49.943 35.470 −17.540 1.00 64.93 ATOM 569 OE1 GLU 25 50.055 34.345 −16.969 1.00 65.43 ATOM 570 OE2 GLU 25 49.102 35.709 −18.455 1.00 67.14 ATOM 571 C GLU 25 50.439 37.242 −13.312 1.00 51.49 ATOM 572 O GLU 25 50.717 38.444 −13.088 1.00 51.01 ATOM 573 N TYR 26 50.526 36.274 −12.393 1.00 48.83 ATOM 574 CA TYR 26 50.790 36.515 −10.947 1.00 47.05 ATOM 575 CB TYR 26 50.985 35.154 −10.254 1.00 46.87 ATOM 576 CG TYR 26 51.434 35.227 −8.828 1.00 47.92 ATOM 577 CD1 TYR 26 52.671 34.688 −8.433 1.00 47.84 ATOM 578 CE1 TYR 26 53.100 34.762 −7.082 1.00 48.18 ATOM 579 CZ TYR 26 52.269 35.386 −6.131 1.00 48.18 ATOM 580 OH TYR 26 52.662 35.492 −4.804 1.00 47.03 ATOM 581 CE2 TYR 26 51.035 35.918 −6.520 1.00 46.39 ATOM 582 CD2 TYR 26 50.628 35.840 −7.852 1.00 47.18 ATOM 583 C TYR 26 51.913 37.564 −10.644 1.00 45.24 ATOM 584 O TYR 26 53.043 37.429 −11.089 1.00 44.91 ATOM 585 N TYR 43 43.094 49.232 14.963 1.00 35.86 ATOM 586 CA TYR 43 41.845 49.384 14.221 1.00 34.34 ATOM 587 CB TYR 43 41.606 50.848 13.825 1.00 34.51 ATOM 588 CG TYR 43 42.620 51.403 12.875 1.00 35.13 ATOM 589 CD1 TYR 43 43.789 52.021 13.353 1.00 35.36 ATOM 590 CE1 TYR 43 44.713 52.568 12.476 1.00 35.91 ATOM 591 CZ TYR 43 44.482 52.488 11.092 1.00 36.72 ATOM 592 OH TYR 43 45.423 53.020 10.229 1.00 39.91 ATOM 593 CE2 TYR 43 43.341 51.894 10.591 1.00 35.17 ATOM 594 CD2 TYR 43 42.406 51.355 11.490 1.00 33.94 ATOM 595 C TYR 43 41.778 48.416 13.037 1.00 33.02 ATOM 596 O TYR 43 42.773 47.896 12.622 1.00 33.74 ATOM 597 N PHE 44 40.584 48.157 12.534 1.00 31.52 ATOM 598 CA PHE 44 40.380 47.193 11.477 1.00 30.42 ATOM 599 CB PHE 44 39.121 46.371 11.785 1.00 28.05 ATOM 600 CG PHE 44 39.368 44.908 12.102 1.00 26.16 ATOM 601 CD1 PHE 44 38.895 44.360 13.296 1.00 23.64 ATOM 602 CE1 PHE 44 39.048 43.004 13.579 1.00 26.96 ATOM 603 CZ PHE 44 39.695 42.170 12.652 1.00 27.27 ATOM 604 CE2 PHE 44 40.193 42.728 11.450 1.00 24.84 ATOM 605 CD2 PHE 44 40.022 44.075 11.193 1.00 23.20 ATOM 606 C PHE 44 40.201 47.957 10.126 1.00 30.58 ATOM 607 O PHE 44 39.488 48.958 10.052 1.00 30.26 ATOM 608 N VAL 45 40.882 47.487 9.094 1.00 29.38 ATOM 609 CA VAL 45 40.578 47.889 7.737 1.00 29.28 ATOM 610 CB VAL 45 41.844 48.431 7.053 1.00 29.71 ATOM 611 CG1 VAL 45 42.424 49.563 7.910 1.00 27.42 ATOM 612 CG2 VAL 45 41.512 48.887 5.625 1.00 27.61 ATOM 613 C VAL 45 40.073 46.699 6.946 1.00 28.37 ATOM 614 O VAL 45 40.775 45.707 6.881 1.00 29.10 ATOM 615 N LYS 46 38.862 46.788 6.372 1.00 27.37 ATOM 616 CA LYS 46 38.313 45.744 5.461 1.00 26.68 ATOM 617 CB LYS 46 36.862 45.397 5.804 1.00 26.88 ATOM 618 CG LYS 46 36.313 44.223 4.931 1.00 25.08 ATOM 619 CD LYS 46 34.964 43.720 5.314 1.00 25.24 ATOM 620 CE LYS 46 34.072 44.791 5.955 1.00 28.89 ATOM 621 NZ LYS 46 32.686 44.222 6.181 1.00 26.14 ATOM 622 C LYS 46 38.344 46.164 3.973 1.00 27.02 ATOM 623 O LYS 46 37.964 47.250 3.629 1.00 27.01 ATOM 624 N PHE 47 38.863 45.314 3.111 1.00 28.84 ATOM 625 CA PHE 47 38.615 45.418 1.644 1.00 29.05 ATOM 626 CB PHE 47 39.885 45.190 0.860 1.00 28.82 ATOM 627 CG PHE 47 40.967 46.166 1.206 1.00 33.70 ATOM 628 CD1 PHE 47 41.906 45.865 2.202 1.00 33.29 ATOM 629 CE1 PHE 47 42.870 46.771 2.548 1.00 37.36 ATOM 630 CZ PHE 47 42.947 48.011 1.876 1.00 36.77 ATOM 631 CE2 PHE 47 42.036 48.328 0.902 1.00 35.15 ATOM 632 CD2 PHE 47 41.028 47.407 0.580 1.00 35.97 ATOM 633 C PHE 47 37.557 44.433 1.154 1.00 29.27 ATOM 634 O PHE 47 37.656 43.228 1.388 1.00 28.82 ATOM 635 N ASN 48 36.544 44.969 0.481 1.00 29.67 ATOM 636 CA ASN 48 35.565 44.180 −0.238 1.00 29.45 ATOM 637 CB ASN 48 34.187 44.785 −0.092 1.00 29.55 ATOM 638 CG ASN 48 33.812 45.036 1.358 1.00 31.72 ATOM 639 OD1 ASN 48 33.656 44.091 2.151 1.00 31.64 ATOM 640 ND2 ASN 48 33.639 46.309 1.710 1.00 28.68 ATOM 641 C ASN 48 35.966 44.089 −1.712 1.00 29.39 ATOM 642 O ASN 48 36.181 45.074 −2.366 1.00 30.66 ATOM 643 N CYS 49 36.121 42.882 −2.215 1.00 28.93 ATOM 644 CA CYS 49 36.691 42.691 −3.539 1.00 28.55 ATOM 645 CB CYS 49 38.122 42.139 −3.427 1.00 28.66 ATOM 646 SG CYS 49 39.169 42.982 −2.155 1.00 32.73 ATOM 647 C CYS 49 35.822 41.722 −4.303 1.00 27.45 ATOM 648 O CYS 49 36.163 40.571 −4.400 1.00 27.31 ATOM 649 N PRO 50 34.677 42.187 −4.815 1.00 26.98 ATOM 650 CA PRO 50 33.704 41.358 −5.540 1.00 28.14 ATOM 651 CB PRO 50 32.460 42.229 −5.577 1.00 27.05 ATOM 652 CG PRO 50 32.834 43.500 −4.917 1.00 27.46 ATOM 653 CD PRO 50 34.269 43.589 −4.773 1.00 26.73 ATOM 654 C PRO 50 34.131 41.021 −6.992 1.00 28.93 ATOM 655 O PRO 50 33.454 40.277 −7.662 1.00 29.56 ATOM 656 N GLU 51 35.239 41.550 −7.471 1.00 28.99 ATOM 657 CA GLU 51 35.542 41.364 −8.882 1.00 30.87 ATOM 658 CB GLU 51 35.773 42.743 −9.531 1.00 29.68 ATOM 659 CG GLU 51 34.461 43.552 −9.722 1.00 30.84 ATOM 660 CD GLU 51 34.670 45.005 −10.178 1.00 32.39 ATOM 661 OE1 GLU 51 35.770 45.326 −10.657 1.00 32.62 ATOM 662 OE2 GLU 51 33.746 45.863 −10.020 1.00 37.18 ATOM 663 C GLU 51 36.729 40.420 −9.058 1.00 30.84 ATOM 664 O GLU 51 37.434 40.492 −10.035 1.00 32.13 ATOM 665 N PHE 52 36.952 39.517 −8.104 1.00 31.69 ATOM 666 CA PHE 52 38.030 38.514 −8.232 1.00 31.23 ATOM 667 CB PHE 52 38.386 37.828 −6.871 1.00 31.35 ATOM 668 CG PHE 52 39.611 36.960 −6.961 1.00 28.85 ATOM 669 CD1 PHE 52 40.889 37.530 −6.947 1.00 25.99 ATOM 670 CE1 PHE 52 42.029 36.739 −7.043 1.00 23.31 ATOM 671 CZ PHE 52 41.919 35.390 −7.209 1.00 24.81 ATOM 672 CE2 PHE 52 40.677 34.818 −7.254 1.00 27.90 ATOM 673 CD2 PHE 52 39.502 35.621 −7.156 1.00 25.84 ATOM 674 C PHE 52 37.720 37.432 −9.243 1.00 30.68 ATOM 675 O PHE 52 36.641 36.841 −9.199 1.00 32.04 ATOM 676 N THR 53 38.687 37.141 −10.111 1.00 30.01 ATOM 677 CA THR 53 38.664 35.956 −10.997 1.00 29.44 ATOM 678 CB THR 53 37.889 36.234 −12.363 1.00 29.62 ATOM 679 OG1 THR 53 37.847 35.032 −13.160 1.00 29.40 ATOM 680 CG2 THR 53 38.495 37.379 −13.138 1.00 25.18 ATOM 681 C THR 53 40.083 35.412 −11.246 1.00 30.25 ATOM 682 O THR 53 41.064 36.163 −11.140 1.00 31.21 ATOM 683 N SER 54 40.184 34.119 −11.496 1.00 30.79 ATOM 684 CA SER 54 41.424 33.459 −11.879 1.00 32.95 ATOM 685 CB SER 54 42.297 33.124 −10.650 1.00 34.16 ATOM 686 OG SER 54 41.611 32.236 −9.771 1.00 35.15 ATOM 687 C SER 54 41.066 32.175 −12.573 1.00 34.08 ATOM 688 O SER 54 39.919 32.011 −12.987 1.00 33.43 ATOM 689 N LEU 55 42.014 31.233 −12.654 1.00 35.50 ATOM 690 CA LEU 55 41.822 30.067 −13.511 1.00 38.99 ATOM 691 CB LEU 55 42.807 30.145 −14.705 1.00 38.15 ATOM 692 CG LEU 55 42.647 31.276 −15.737 1.00 38.05 ATOM 693 CD1 LEU 55 43.664 31.196 −16.923 1.00 37.97 ATOM 694 CD2 LEU 55 41.282 31.238 −16.302 1.00 36.27 ATOM 695 C LEU 55 41.913 28.720 −12.764 1.00 41.28 ATOM 696 O LEU 55 42.695 28.580 −11.836 1.00 42.13 ATOM 697 N CYS 56 41.111 27.735 −13.140 1.00 45.15 ATOM 698 CA CYS 56 41.284 26.387 −12.587 1.00 48.21 ATOM 699 CB CYS 56 40.075 25.528 −12.936 1.00 48.98 ATOM 700 SG CYS 56 40.243 23.736 −12.722 1.00 48.04 ATOM 701 C CYS 56 42.640 25.816 −13.109 1.00 50.95 ATOM 702 O CYS 56 42.955 25.956 −14.300 1.00 51.40 ATOM 703 N PRO 57 43.489 25.253 −12.213 1.00 52.65 ATOM 704 CA PRO 57 44.889 25.013 −12.637 1.00 54.14 ATOM 705 CB PRO 57 45.642 24.842 −11.314 1.00 54.19 ATOM 706 CG PRO 57 44.588 24.328 −10.336 1.00 53.52 ATOM 707 CD PRO 57 43.230 24.787 −10.836 1.00 52.98 ATOM 708 C PRO 57 45.063 23.781 −13.555 1.00 55.54 ATOM 709 O PRO 57 46.016 23.722 −14.350 1.00 54.81 ATOM 710 N LYS 58 44.128 22.829 −13.446 1.00 57.50 ATOM 711 CA LYS 58 44.049 21.682 −14.364 1.00 59.13 ATOM 712 CB LYS 58 43.390 20.459 −13.703 1.00 59.05 ATOM 713 CG LYS 58 42.852 19.399 −14.694 1.00 60.63 ATOM 714 CD LYS 58 41.954 18.339 −13.989 1.00 60.64 ATOM 715 CE LYS 58 41.087 17.521 −14.973 1.00 62.65 ATOM 716 NZ LYS 58 39.920 16.812 −14.317 1.00 60.90 ATOM 717 C LYS 58 43.283 22.126 −15.614 1.00 59.19 ATOM 718 O LYS 58 43.848 22.146 −16.705 1.00 59.79 ATOM 719 N VAL 59 42.023 22.530 −15.427 1.00 58.64 ATOM 720 CA VAL 59 41.091 22.837 −16.536 1.00 57.13 ATOM 721 CB VAL 59 39.619 22.857 −16.016 1.00 57.65 ATOM 722 CG1 VAL 59 38.693 23.422 −17.024 1.00 58.60 ATOM 723 CG2 VAL 59 39.162 21.438 −15.633 1.00 58.09 ATOM 724 C VAL 59 41.418 24.097 −17.372 1.00 55.09 ATOM 725 O VAL 59 41.268 24.080 −18.580 1.00 56.14 ATOM 726 N GLY 60 41.828 25.194 −16.740 1.00 52.41 ATOM 727 CA GLY 60 41.961 26.474 −17.434 1.00 47.50 ATOM 728 C GLY 60 40.683 27.301 −17.479 1.00 45.30 ATOM 729 O GLY 60 40.704 28.429 −17.918 1.00 44.68 ATOM 730 N GLN 61 39.569 26.730 −17.037 1.00 43.47 ATOM 731 CA GLN 61 38.283 27.409 −16.913 1.00 43.06 ATOM 732 CB GLN 61 37.186 26.386 −16.571 1.00 42.84 ATOM 733 CG GLN 61 35.792 26.965 −16.271 1.00 46.97 ATOM 734 CD GLN 61 34.702 25.892 −16.088 1.00 48.50 ATOM 735 OE1 GLN 61 33.523 26.106 −16.446 1.00 53.52 ATOM 736 NE2 GLN 61 35.096 24.725 −15.528 1.00 52.86 ATOM 737 C GLN 61 38.362 28.483 −15.833 1.00 40.38 ATOM 738 O GLN 61 38.938 28.269 −14.787 1.00 39.46 ATOM 739 N PRO 62 37.799 29.662 −16.105 1.00 39.26 ATOM 740 CA PRO 62 37.742 30.792 −15.166 1.00 37.62 ATOM 741 CB PRO 62 36.923 31.836 −15.917 1.00 37.68 ATOM 742 CG PRO 62 36.928 31.436 −17.335 1.00 38.30 ATOM 743 CD PRO 62 37.120 29.954 −17.382 1.00 39.55 ATOM 744 C PRO 62 36.966 30.446 −13.889 1.00 36.24 ATOM 745 O PRO 62 35.986 29.671 −13.955 1.00 35.39 ATOM 746 N ASP 63 37.390 31.043 −12.761 1.00 34.81 ATOM 747 CA ASP 63 36.666 30.992 −11.482 1.00 33.85 ATOM 748 CB ASP 63 37.523 30.460 −10.304 1.00 35.11 ATOM 749 CG ASP 63 38.321 29.171 −10.609 1.00 42.47 ATOM 750 OD1 ASP 63 37.687 28.192 −11.128 1.00 45.14 ATOM 751 OD2 ASP 63 39.573 29.151 −10.243 1.00 44.13 ATOM 752 C ASP 63 36.433 32.418 −11.086 1.00 31.61 ATOM 753 O ASP 63 37.265 33.293 −11.427 1.00 30.61 ATOM 754 N PHE 64 35.413 32.610 −10.246 1.00 28.89 ATOM 755 CA PHE 64 34.965 33.894 −9.731 1.00 28.44 ATOM 756 CB PHE 64 33.709 34.330 −10.494 1.00 27.72 ATOM 757 CG PHE 64 33.947 34.506 −11.970 1.00 28.55 ATOM 758 CD1 PHE 64 33.926 33.406 −12.827 1.00 29.74 ATOM 759 CE1 PHE 64 34.195 33.544 −14.202 1.00 27.82 ATOM 760 CZ PHE 64 34.509 34.793 −14.702 1.00 28.20 ATOM 761 CE2 PHE 64 34.533 35.923 −13.860 1.00 29.67 ATOM 762 CD2 PHE 64 34.253 35.775 −12.491 1.00 28.64 ATOM 763 C PHE 64 34.676 33.886 −8.213 1.00 28.20 ATOM 764 O PHE 64 34.058 32.959 −7.698 1.00 28.02 ATOM 765 N ALA 65 35.106 34.945 −7.509 1.00 28.57 ATOM 766 CA ALA 65 34.880 35.072 −6.047 1.00 27.38 ATOM 767 CB ALA 65 36.083 34.562 −5.269 1.00 26.73 ATOM 768 C ALA 65 34.647 36.476 −5.658 1.00 27.14 ATOM 769 O ALA 65 35.077 37.382 −6.345 1.00 27.20 ATOM 770 N THR 66 33.959 36.665 −4.539 1.00 27.88 ATOM 771 CA THR 66 34.161 37.880 −3.739 1.00 29.11 ATOM 772 CB THR 66 32.865 38.324 −3.064 1.00 28.62 ATOM 773 OG1 THR 66 31.893 38.546 −4.055 1.00 32.67 ATOM 774 CG2 THR 66 33.026 39.699 −2.321 1.00 30.63 ATOM 775 C THR 66 35.230 37.545 −2.666 1.00 29.04 ATOM 776 O THR 66 35.157 36.496 −2.006 1.00 29.39 ATOM 777 N ILE 67 36.187 38.435 −2.463 1.00 29.87 ATOM 778 CA ILE 67 37.164 38.251 −1.396 1.00 29.83 ATOM 779 CB ILE 67 38.587 38.232 −1.944 1.00 30.58 ATOM 780 CG1 ILE 67 38.746 37.168 −3.049 1.00 28.17 ATOM 781 CD1 ILE 67 40.222 37.168 −3.597 1.00 30.71 ATOM 782 CG2 ILE 67 39.613 37.990 −0.826 1.00 32.44 ATOM 783 C ILE 67 37.008 39.373 −0.395 1.00 29.75 ATOM 784 O ILE 67 36.863 40.562 −0.776 1.00 30.09 ATOM 785 N TYR 68 36.954 38.994 0.884 1.00 29.10 ATOM 786 CA TYR 68 36.922 39.960 1.980 1.00 29.33 ATOM 787 CB TYR 68 35.749 39.680 2.920 1.00 29.75 ATOM 788 CG TYR 68 34.416 39.729 2.230 1.00 29.38 ATOM 789 CD1 TYR 68 33.794 38.563 1.815 1.00 32.55 ATOM 790 CE1 TYR 68 32.568 38.584 1.134 1.00 32.20 ATOM 791 CZ TYR 68 31.963 39.819 0.883 1.00 33.29 ATOM 792 OH TYR 68 30.740 39.851 0.231 1.00 32.89 ATOM 793 CE2 TYR 68 32.572 41.015 1.294 1.00 29.83 ATOM 794 CD2 TYR 68 33.783 40.965 1.962 1.00 31.54 ATOM 795 C TYR 68 38.279 39.917 2.710 1.00 29.45 ATOM 796 O TYR 68 38.779 38.853 3.103 1.00 29.05 ATOM 797 N ILE 69 38.888 41.080 2.851 1.00 28.99 ATOM 798 CA ILE 69 40.189 41.133 3.443 1.00 29.76 ATOM 799 CB ILE 69 41.245 41.549 2.415 1.00 29.75 ATOM 800 CG1 ILE 69 41.287 40.534 1.260 1.00 27.97 ATOM 801 CD1 ILE 69 42.318 40.945 0.271 1.00 26.18 ATOM 802 CG2 ILE 69 42.625 41.704 3.093 1.00 32.22 ATOM 803 C ILE 69 40.152 42.132 4.557 1.00 29.86 ATOM 804 O ILE 69 39.881 43.304 4.314 1.00 29.65 ATOM 805 N SER 70 40.408 41.651 5.779 1.00 30.45 ATOM 806 CA SER 70 40.364 42.506 6.981 1.00 30.03 ATOM 807 CB SER 70 39.223 42.035 7.869 1.00 29.17 ATOM 808 OG SER 70 38.002 42.191 7.194 1.00 30.13 ATOM 809 C SER 70 41.687 42.374 7.736 1.00 30.78 ATOM 810 O SER 70 42.155 41.252 7.957 1.00 30.80 ATOM 811 N TYR 71 42.292 43.494 8.126 1.00 30.28 ATOM 812 CA TYR 71 43.549 43.418 8.832 1.00 30.62 ATOM 813 CB TYR 71 44.775 43.454 7.870 1.00 31.06 ATOM 814 CG TYR 71 45.145 44.802 7.314 1.00 30.65 ATOM 815 CD1 TYR 71 44.427 45.375 6.252 1.00 32.95 ATOM 816 CE1 TYR 71 44.774 46.635 5.729 1.00 35.56 ATOM 817 CZ TYR 71 45.853 47.307 6.284 1.00 35.18 ATOM 818 OH TYR 71 46.233 48.540 5.823 1.00 33.86 ATOM 819 CE2 TYR 71 46.553 46.731 7.335 1.00 32.70 ATOM 820 CD2 TYR 71 46.208 45.482 7.808 1.00 30.48 ATOM 821 C TYR 71 43.613 44.505 9.873 1.00 30.68 ATOM 822 O TYR 71 42.887 45.490 9.763 1.00 30.21 ATOM 823 N ILE 72 44.427 44.279 10.915 1.00 30.50 ATOM 824 CA ILE 72 44.801 45.325 11.855 1.00 30.24 ATOM 825 CB ILE 72 44.723 44.843 13.328 1.00 30.88 ATOM 826 CG1 ILE 72 43.293 44.331 13.636 1.00 28.07 ATOM 827 CD1 ILE 72 42.932 44.254 15.117 1.00 28.12 ATOM 828 CG2 ILE 72 45.196 45.956 14.298 1.00 29.52 ATOM 829 C ILE 72 46.233 45.708 11.494 1.00 30.72 ATOM 830 O ILE 72 47.132 44.880 11.577 1.00 32.13 ATOM 831 N TYR 86 47.188 43.969 −7.901 1.00 33.33 ATOM 832 CA TYR 86 47.644 42.673 −7.427 1.00 32.84 ATOM 833 CB TYR 86 48.059 42.760 −5.941 1.00 32.11 ATOM 834 CG TYR 86 48.309 41.413 −5.307 1.00 31.82 ATOM 835 CD1 TYR 86 49.426 40.641 −5.667 1.00 28.59 ATOM 836 CE1 TYR 86 49.653 39.402 −5.081 1.00 32.86 ATOM 837 CZ TYR 86 48.743 38.917 −4.119 1.00 31.37 ATOM 838 OH TYR 86 48.919 37.697 −3.545 1.00 30.97 ATOM 839 CE2 TYR 86 47.642 39.664 −3.744 1.00 31.22 ATOM 840 CD2 TYR 86 47.420 40.904 −4.336 1.00 31.02 ATOM 841 C TYR 86 46.587 41.608 −7.700 1.00 31.81 ATOM 842 O TYR 86 46.886 40.527 −8.229 1.00 31.35 ATOM 843 N LEU 87 45.344 41.910 −7.359 1.00 31.78 ATOM 844 CA LEU 87 44.248 40.955 −7.633 1.00 31.82 ATOM 845 CB LEU 87 42.984 41.397 −6.890 1.00 32.18 ATOM 846 CG LEU 87 43.082 41.369 −5.328 1.00 31.56 ATOM 847 CD1 LEU 87 41.740 41.655 −4.733 1.00 32.47 ATOM 848 CD2 LEU 87 43.559 40.055 −4.866 1.00 26.18 ATOM 849 C LEU 87 43.953 40.670 −9.122 1.00 32.75 ATOM 850 O LEU 87 43.561 39.559 −9.485 1.00 32.73 ATOM 851 N PHE 88 44.113 41.685 −9.975 1.00 34.10 ATOM 852 CA PHE 88 44.007 41.519 −11.429 1.00 35.05 ATOM 853 CB PHE 88 44.345 42.822 −12.193 1.00 35.48 ATOM 854 CG PHE 88 43.261 43.881 −12.155 1.00 36.14 ATOM 855 CD1 PHE 88 43.574 45.210 −12.455 1.00 38.84 ATOM 856 CE1 PHE 88 42.574 46.187 −12.470 1.00 38.29 ATOM 857 CZ PHE 88 41.255 45.846 −12.145 1.00 38.18 ATOM 858 CE2 PHE 88 40.933 44.522 −11.828 1.00 36.77 ATOM 859 CD2 PHE 88 41.938 43.554 −11.836 1.00 38.00 ATOM 860 C PHE 88 45.003 40.496 −11.881 1.00 35.83 ATOM 861 O PHE 88 44.743 39.762 −12.839 1.00 35.38 ATOM 862 N SER 89 46.172 40.477 −11.234 1.00 35.76 ATOM 863 CA SER 89 47.281 39.648 −11.698 1.00 34.90 ATOM 864 CB SER 89 48.554 39.994 −10.908 1.00 35.63 ATOM 865 OG SER 89 48.651 39.280 −9.670 1.00 35.63 ATOM 866 C SER 89 46.998 38.166 −11.627 1.00 35.05 ATOM 867 O SER 89 47.808 37.344 −12.084 1.00 35.82 ATOM 868 N PHE 90 45.883 37.781 −11.009 1.00 34.87 ATOM 869 CA PHE 90 45.508 36.352 −10.968 1.00 34.62 ATOM 870 CB PHE 90 44.711 35.996 −9.706 1.00 34.78 ATOM 871 CG PHE 90 45.531 35.947 −8.462 1.00 36.36 ATOM 872 CD1 PHE 90 45.881 37.114 −7.796 1.00 34.82 ATOM 873 CE1 PHE 90 46.655 37.075 −6.648 1.00 37.21 ATOM 874 CZ PHE 90 47.080 35.867 −6.143 1.00 36.41 ATOM 875 CE2 PHE 90 46.696 34.671 −6.760 1.00 40.24 ATOM 876 CD2 PHE 90 45.934 34.718 −7.934 1.00 39.21 ATOM 877 C PHE 90 44.642 36.004 −12.149 1.00 34.30 ATOM 878 O PHE 90 44.284 34.840 −12.302 1.00 33.27 ATOM 879 N ARG 91 44.275 37.005 −12.960 1.00 34.65 ATOM 880 CA ARG 91 43.222 36.815 −13.969 1.00 36.62 ATOM 881 CB ARG 91 42.956 38.099 −14.757 1.00 36.64 ATOM 882 CG ARG 91 41.894 38.018 −15.831 1.00 35.88 ATOM 883 CD ARG 91 41.751 39.410 −16.406 1.00 33.61 ATOM 884 NE ARG 91 40.653 39.549 −17.340 1.00 30.74 ATOM 885 CZ ARG 91 39.396 39.795 −17.007 1.00 34.38 ATOM 886 NH1 ARG 91 39.055 39.912 −15.715 1.00 32.01 ATOM 887 NH2 ARG 91 38.458 39.897 −17.973 1.00 29.74 ATOM 888 C ARG 91 43.542 35.667 −14.895 1.00 37.03 ATOM 889 O ARG 91 42.668 34.860 −15.195 1.00 37.70 ATOM 890 N ASN 92 44.799 35.573 −15.305 1.00 38.94 ATOM 891 CA ASN 92 45.219 34.494 −16.159 1.00 42.43 ATOM 892 CB ASN 92 45.690 35.038 −17.547 1.00 43.10 ATOM 893 CG ASN 92 44.538 35.851 −18.298 1.00 46.75 ATOM 894 OD1 ASN 92 43.371 35.388 −18.437 1.00 49.26 ATOM 895 ND2 ASN 92 44.872 37.062 −18.738 1.00 50.32 ATOM 896 C ASN 92 46.151 33.456 −15.469 1.00 44.01 ATOM 897 O ASN 92 46.872 32.696 −16.129 1.00 44.78 ATOM 898 N HIS 93 46.033 33.376 −14.138 1.00 44.75 ATOM 899 CA HIS 93 46.810 32.475 −13.274 1.00 45.82 ATOM 900 CB HIS 93 47.330 33.300 −12.083 1.00 46.58 ATOM 901 CG HIS 93 48.366 32.598 −11.258 1.00 51.68 ATOM 902 ND1 HIS 93 48.252 32.443 −9.886 1.00 56.34 ATOM 903 CE1 HIS 93 49.301 31.777 −9.432 1.00 57.05 ATOM 904 NE2 HIS 93 50.089 31.490 −10.459 1.00 57.52 ATOM 905 CD2 HIS 93 49.529 31.996 −11.611 1.00 54.61 ATOM 906 C HIS 93 45.970 31.296 −12.775 1.00 44.81 ATOM 907 O HIS 93 44.853 31.488 −12.312 1.00 46.13 ATOM 908 N GLY 94 46.485 30.078 −12.897 1.00 44.84 ATOM 909 CA GLY 94 45.818 28.850 −12.399 1.00 44.49 ATOM 910 C GLY 94 46.263 28.432 −10.975 1.00 45.32 ATOM 911 O GLY 94 47.457 28.196 −10.729 1.00 45.94 ATOM 912 N ASP 95 45.331 28.396 −10.025 1.00 44.13 ATOM 913 CA ASP 95 45.571 27.829 −8.692 1.00 44.02 ATOM 914 CB ASP 95 46.397 28.757 −7.763 1.00 45.45 ATOM 915 CG ASP 95 47.948 28.486 −7.818 1.00 48.99 ATOM 916 OD1 ASP 95 48.738 29.446 −7.639 1.00 54.04 ATOM 917 OD2 ASP 95 48.388 27.328 −8.029 1.00 53.84 ATOM 918 C ASP 95 44.223 27.468 −8.056 1.00 42.25 ATOM 919 O ASP 95 43.192 28.012 −8.441 1.00 40.15 ATOM 920 N PHE 96 44.261 26.531 −7.109 1.00 41.12 ATOM 921 CA PHE 96 43.096 26.125 −6.335 1.00 40.60 ATOM 922 CB PHE 96 43.393 24.853 −5.554 1.00 41.69 ATOM 923 CG PHE 96 43.402 23.616 −6.419 1.00 44.28 ATOM 924 CD1 PHE 96 44.265 22.558 −6.147 1.00 47.19 ATOM 925 CE1 PHE 96 44.270 21.395 −6.940 1.00 47.63 ATOM 926 CZ PHE 96 43.401 21.294 −8.029 1.00 46.71 ATOM 927 CE2 PHE 96 42.538 22.368 −8.332 1.00 48.63 ATOM 928 CD2 PHE 96 42.551 23.522 −7.529 1.00 46.24 ATOM 929 C PHE 96 42.653 27.252 −5.431 1.00 39.42 ATOM 930 O PHE 96 43.469 28.115 −5.117 1.00 38.89 ATOM 931 N HIS 97 41.359 27.288 −5.087 1.00 38.19 ATOM 932 CA HIS 97 40.787 28.413 −4.344 1.00 38.39 ATOM 933 CB HIS 97 39.265 28.279 −4.200 1.00 38.74 ATOM 934 CG HIS 97 38.539 28.104 −5.499 1.00 37.54 ATOM 935 ND1 HIS 97 39.053 28.529 −6.706 1.00 34.50 ATOM 936 CE1 HIS 97 38.208 28.210 −7.669 1.00 37.08 ATOM 937 NE2 HIS 97 37.150 27.619 −7.131 1.00 36.65 ATOM 938 CD2 HIS 97 37.327 27.554 −5.772 1.00 38.23 ATOM 939 C HIS 97 41.434 28.549 −2.966 1.00 38.73 ATOM 940 O HIS 97 41.872 29.634 −2.576 1.00 39.39 ATOM 941 N GLU 98 41.567 27.433 −2.261 1.00 38.84 ATOM 942 CA GLU 98 42.179 27.405 −0.914 1.00 39.63 ATOM 943 CB GLU 98 42.217 25.978 −0.374 1.00 38.95 ATOM 944 CG GLU 98 40.884 25.273 −0.442 1.00 38.77 ATOM 945 CD GLU 98 40.647 24.477 −1.726 1.00 41.29 ATOM 946 OE1 GLU 98 41.030 24.942 −2.838 1.00 39.69 ATOM 947 OE2 GLU 98 40.033 23.375 −1.619 1.00 40.24 ATOM 948 C GLU 98 43.582 27.983 −0.952 1.00 39.61 ATOM 949 O GLU 98 43.972 28.784 −0.108 1.00 40.07 ATOM 950 N ASP 99 44.292 27.602 −2.000 1.00 40.45 ATOM 951 CA ASP 99 45.714 27.878 −2.223 1.00 40.16 ATOM 952 CB ASP 99 46.017 27.164 −3.520 1.00 41.18 ATOM 953 CG ASP 99 47.461 26.816 −3.700 1.00 46.42 ATOM 954 OD1 ASP 99 48.355 27.676 −3.445 1.00 49.29 ATOM 955 OD2 ASP 99 47.683 25.661 −4.162 1.00 51.24 ATOM 956 C ASP 99 45.851 29.361 −2.427 1.00 39.47 ATOM 957 O ASP 99 46.644 30.071 −1.792 1.00 39.36 ATOM 958 N CYS 100 45.024 29.822 −3.343 1.00 38.90 ATOM 959 CA CYS 100 44.857 31.212 −3.680 1.00 38.74 ATOM 960 CB CYS 100 43.628 31.311 −4.585 1.00 39.56 ATOM 961 SG CYS 100 43.707 32.668 −5.646 1.00 48.85 ATOM 962 C CYS 100 44.687 32.157 −2.510 1.00 36.34 ATOM 963 O CYS 100 45.348 33.190 −2.486 1.00 38.03 ATOM 964 N MET 101 43.784 31.852 −1.568 1.00 33.49 ATOM 965 CA MET 101 43.554 32.756 −0.424 1.00 31.88 ATOM 966 CB MET 101 42.275 32.415 0.366 1.00 31.59 ATOM 967 CG MET 101 40.980 32.159 −0.447 1.00 32.03 ATOM 968 SD MET 101 40.572 33.525 −1.537 1.00 36.28 ATOM 969 CE MET 101 39.970 34.696 −0.423 1.00 41.17 ATOM 970 C MET 101 44.749 32.825 0.539 1.00 31.54 ATOM 971 O MET 101 45.049 33.884 1.106 1.00 29.90 ATOM 972 N ASN 102 45.417 31.689 0.716 1.00 31.49 ATOM 973 CA ASN 102 46.666 31.638 1.461 1.00 32.81 ATOM 974 CB ASN 102 47.048 30.193 1.678 1.00 32.88 ATOM 975 CG ASN 102 46.275 29.576 2.840 1.00 32.88 ATOM 976 OD1 ASN 102 46.439 30.008 3.985 1.00 33.79 ATOM 977 ND2 ASN 102 45.428 28.582 2.554 1.00 30.76 ATOM 978 C ASN 102 47.767 32.410 0.802 1.00 33.74 ATOM 979 O ASN 102 48.495 33.164 1.471 1.00 35.24 ATOM 980 N ILE 103 47.861 32.300 −0.526 1.00 34.62 ATOM 981 CA ILE 103 48.856 33.083 −1.284 1.00 34.52 ATOM 982 CB ILE 103 48.860 32.717 −2.810 1.00 35.11 ATOM 983 CG1 ILE 103 49.252 31.254 −3.015 1.00 37.81 ATOM 984 CD1 ILE 103 48.975 30.794 −4.484 1.00 36.59 ATOM 985 CG2 ILE 103 49.831 33.544 −3.568 1.00 35.19 ATOM 986 C ILE 103 48.622 34.557 −1.089 1.00 32.34 ATOM 987 O ILE 103 49.537 35.296 −0.811 1.00 33.70 ATOM 988 N ILE 104 47.386 35.005 −1.203 1.00 31.68 ATOM 989 CA ILE 104 47.087 36.444 −1.032 1.00 30.78 ATOM 990 CB ILE 104 45.562 36.725 −1.347 1.00 31.36 ATOM 991 CG1 ILE 104 45.289 36.459 −2.851 1.00 30.04 ATOM 992 CD1 ILE 104 43.800 36.432 −3.259 1.00 30.68 ATOM 993 CG2 ILE 104 45.085 38.140 −0.830 1.00 29.89 ATOM 994 C ILE 104 47.435 36.954 0.362 1.00 31.29 ATOM 995 O ILE 104 47.875 38.121 0.569 1.00 30.30 ATOM 996 N MET 105 47.110 36.109 1.339 1.00 32.11 ATOM 997 CA MET 105 47.387 36.420 2.719 1.00 32.26 ATOM 998 CB MET 105 46.688 35.423 3.689 1.00 31.48 ATOM 999 CG MET 105 46.678 36.042 5.099 1.00 30.44 ATOM 1000 SD MET 105 46.162 35.031 6.449 1.00 31.39 ATOM 1001 CE MET 105 47.128 33.576 6.242 1.00 22.59 ATOM 1002 C MET 105 48.895 36.459 2.942 1.00 32.40 ATOM 1003 O MET 105 49.410 37.356 3.608 1.00 31.86 ATOM 1004 N ASN 106 49.607 35.497 2.364 1.00 33.34 ATOM 1005 CA ASN 106 51.060 35.505 2.509 1.00 34.87 ATOM 1006 CB ASN 106 51.685 34.198 2.046 1.00 34.97 ATOM 1007 CG ASN 106 51.274 33.053 2.937 1.00 36.61 ATOM 1008 OD1 ASN 106 50.688 33.278 4.005 1.00 38.19 ATOM 1009 ND2 ASN 106 51.499 31.831 2.495 1.00 38.28 ATOM 1010 C ASN 106 51.721 36.717 1.919 1.00 35.70 ATOM 1011 O ASN 106 52.550 37.358 2.573 1.00 35.96 ATOM 1012 N ASP 107 51.306 37.116 0.728 1.00 35.91 ATOM 1013 CA ASP 107 51.974 38.269 0.143 1.00 36.06 ATOM 1014 CB ASP 107 51.603 38.415 −1.333 1.00 37.13 ATOM 1015 CG ASP 107 52.043 37.218 −2.140 1.00 38.89 ATOM 1016 OD1 ASP 107 53.021 36.546 −1.703 1.00 42.31 ATOM 1017 OD2 ASP 107 51.415 36.932 −3.182 1.00 40.30 ATOM 1018 C ASP 107 51.654 39.506 0.873 1.00 35.28 ATOM 1019 O ASP 107 52.451 40.461 0.902 1.00 35.58 ATOM 1020 N LEU 108 50.472 39.528 1.463 1.00 34.93 ATOM 1021 CA LEU 108 50.060 40.734 2.234 1.00 34.30 ATOM 1022 CB LEU 108 48.530 40.809 2.375 1.00 33.47 ATOM 1023 CG LEU 108 47.672 41.268 1.174 1.00 34.12 ATOM 1024 CD1 LEU 108 46.136 41.133 1.450 1.00 25.18 ATOM 1025 CD2 LEU 108 47.995 42.692 0.679 1.00 30.20 ATOM 1026 C LEU 108 50.741 40.803 3.612 1.00 34.33 ATOM 1027 O LEU 108 51.045 41.908 4.108 1.00 32.72 ATOM 1028 N ILE 109 50.945 39.639 4.235 1.00 35.34 ATOM 1029 CA ILE 109 51.756 39.567 5.500 1.00 37.09 ATOM 1030 CB ILE 109 51.735 38.148 6.106 1.00 35.97 ATOM 1031 CG1 ILE 109 50.394 37.867 6.817 1.00 34.82 ATOM 1032 CD1 ILE 109 50.162 36.392 6.920 1.00 31.58 ATOM 1033 CG2 ILE 109 52.950 37.903 7.009 1.00 35.95 ATOM 1034 C ILE 109 53.214 40.039 5.254 1.00 38.91 ATOM 1035 O ILE 109 53.747 40.906 5.967 1.00 38.99 ATOM 1036 N GLU 110 53.816 39.473 4.213 1.00 41.14 ATOM 1037 CA GLU 110 55.142 39.837 3.739 1.00 44.63 ATOM 1038 CB GLU 110 55.510 38.922 2.568 1.00 44.16 ATOM 1039 CG GLU 110 56.876 39.075 1.955 1.00 48.43 ATOM 1040 CD GLU 110 57.085 38.151 0.695 1.00 50.78 ATOM 1041 OE1 GLU 110 56.130 37.977 −0.148 1.00 58.62 ATOM 1042 OE2 GLU 110 58.219 37.600 0.538 1.00 58.76 ATOM 1043 C GLU 110 55.186 41.318 3.374 1.00 43.73 ATOM 1044 O GLU 110 56.158 42.010 3.698 1.00 43.40 ATOM 1045 N ARG 115 49.317 43.355 12.391 1.00 30.43 ATOM 1046 CA ARG 115 49.122 42.666 13.688 1.00 28.80 ATOM 1047 CB ARG 115 48.524 43.607 14.696 1.00 27.24 ATOM 1048 CG ARG 115 49.480 44.797 14.854 1.00 28.13 ATOM 1049 CD ARG 115 49.021 45.829 15.821 1.00 30.24 ATOM 1050 NE ARG 115 49.994 46.913 15.837 1.00 31.62 ATOM 1051 CZ ARG 115 49.711 48.175 16.086 1.00 33.29 ATOM 1052 NH1 ARG 115 48.461 48.531 16.364 1.00 33.08 ATOM 1053 NH2 ARG 115 50.682 49.072 16.033 1.00 32.97 ATOM 1054 C ARG 115 48.286 41.422 13.479 1.00 29.25 ATOM 1055 O ARG 115 48.535 40.356 14.063 1.00 28.81 ATOM 1056 N TYR 116 47.261 41.579 12.632 1.00 28.80 ATOM 1057 CA TYR 116 46.279 40.564 12.365 1.00 27.69 ATOM 1058 CB TYR 116 45.077 40.781 13.272 1.00 27.92 ATOM 1059 CG TYR 116 43.940 39.808 12.956 1.00 26.63 ATOM 1060 CD1 TYR 116 44.018 38.483 13.349 1.00 26.72 ATOM 1061 CE1 TYR 116 43.057 37.585 13.021 1.00 25.07 ATOM 1062 CZ TYR 116 41.991 38.002 12.258 1.00 27.65 ATOM 1063 OH TYR 116 41.005 37.103 11.955 1.00 30.89 ATOM 1064 CE2 TYR 116 41.884 39.315 11.852 1.00 26.17 ATOM 1065 CD2 TYR 116 42.860 40.195 12.171 1.00 26.32 ATOM 1066 C TYR 116 45.836 40.759 10.910 1.00 28.81 ATOM 1067 O TYR 116 45.688 41.914 10.448 1.00 28.65 ATOM 1068 N ILE 117 45.556 39.657 10.218 1.00 28.31 ATOM 1069 CA ILE 117 44.857 39.710 8.943 1.00 28.27 ATOM 1070 CB ILE 117 45.844 40.005 7.796 1.00 29.22 ATOM 1071 CG1 ILE 117 45.158 40.028 6.410 1.00 27.24 ATOM 1072 CD1 ILE 117 46.196 40.353 5.327 1.00 27.68 ATOM 1073 CG2 ILE 117 47.049 39.010 7.845 1.00 27.47 ATOM 1074 C ILE 117 44.092 38.433 8.690 1.00 28.02 ATOM 1075 O ILE 117 44.490 37.377 9.151 1.00 27.51 ATOM 1076 N GLU 118 42.965 38.543 7.989 1.00 27.06 ATOM 1077 CA GLU 118 42.201 37.395 7.553 1.00 27.80 ATOM 1078 CB GLU 118 40.984 37.159 8.436 1.00 27.26 ATOM 1079 CG GLU 118 39.996 38.325 8.524 1.00 25.50 ATOM 1080 CD GLU 118 38.796 38.015 9.431 1.00 30.75 ATOM 1081 OE1 GLU 118 38.938 37.361 10.503 1.00 35.47 ATOM 1082 OE2 GLU 118 37.676 38.411 9.076 1.00 34.71 ATOM 1083 C GLU 118 41.752 37.632 6.100 1.00 28.42 ATOM 1084 O GLU 118 41.593 38.755 5.666 1.00 28.14 ATOM 1085 N VAL 119 41.540 36.550 5.373 1.00 28.92 ATOM 1086 CA VAL 119 41.110 36.581 3.987 1.00 28.21 ATOM 1087 CB VAL 119 42.310 36.233 3.005 1.00 29.07 ATOM 1088 CG1 VAL 119 41.841 36.310 1.510 1.00 28.56 ATOM 1089 CG2 VAL 119 43.463 37.228 3.208 1.00 27.52 ATOM 1090 C VAL 119 40.054 35.513 3.894 1.00 27.80 ATOM 1091 O VAL 119 40.354 34.336 4.158 1.00 27.72 ATOM 1092 N TRP 120 38.815 35.929 3.562 1.00 27.25 ATOM 1093 CA TRP 120 37.676 35.000 3.333 1.00 27.20 ATOM 1094 CB TRP 120 36.515 35.407 4.278 1.00 26.60 ATOM 1095 CG TRP 120 35.491 34.402 4.514 1.00 26.10 ATOM 1096 CD1 TRP 120 35.296 33.230 3.804 1.00 26.37 ATOM 1097 NE1 TRP 120 34.229 32.552 4.313 1.00 27.03 ATOM 1098 CE2 TRP 120 33.703 33.255 5.381 1.00 25.05 ATOM 1099 CD2 TRP 120 34.492 34.421 5.550 1.00 22.86 ATOM 1100 CE3 TRP 120 34.150 35.346 6.568 1.00 23.61 ATOM 1101 CZ3 TRP 120 33.060 35.074 7.374 1.00 25.97 ATOM 1102 CH2 TRP 120 32.275 33.873 7.175 1.00 27.78 ATOM 1103 CZ2 TRP 120 32.599 32.958 6.201 1.00 21.16 ATOM 1104 C TRP 120 37.245 35.090 1.814 1.00 27.84 ATOM 1105 O TRP 120 36.764 36.130 1.369 1.00 27.40 ATOM 1106 N GLY 121 37.442 34.030 1.032 1.00 27.57 ATOM 1107 CA GLY 121 37.014 34.031 −0.372 1.00 27.83 ATOM 1108 C GLY 121 35.713 33.281 −0.479 1.00 28.51 ATOM 1109 O GLY 121 35.513 32.340 0.248 1.00 27.13 ATOM 1110 N LYS 122 34.789 33.745 −1.327 1.00 29.24 ATOM 1111 CA LYS 122 33.531 33.060 −1.498 1.00 28.64 ATOM 1112 CB LYS 122 32.421 33.901 −0.890 1.00 29.09 ATOM 1113 CG LYS 122 32.548 33.989 0.667 1.00 29.14 ATOM 1114 CD LYS 122 31.580 34.915 1.271 1.00 25.90 ATOM 1115 CE LYS 122 31.743 34.916 2.771 1.00 30.47 ATOM 1116 NZ LYS 122 30.588 35.634 3.387 1.00 33.80 ATOM 1117 C LYS 122 33.356 32.839 −3.012 1.00 29.89 ATOM 1118 O LYS 122 33.009 33.767 −3.738 1.00 29.56 ATOM 1119 N PHE 123 33.638 31.608 −3.468 1.00 29.77 ATOM 1120 CA PHE 123 33.659 31.307 −4.875 1.00 28.78 ATOM 1121 CB PHE 123 34.710 30.257 −5.217 1.00 27.79 ATOM 1122 CG PHE 123 36.100 30.803 −5.193 1.00 29.54 ATOM 1123 CD1 PHE 123 36.777 30.991 −3.970 1.00 26.50 ATOM 1124 CE1 PHE 123 38.046 31.531 −3.916 1.00 24.89 ATOM 1125 CZ PHE 123 38.711 31.868 −5.096 1.00 30.34 ATOM 1126 CE2 PHE 123 38.062 31.658 −6.358 1.00 31.05 ATOM 1127 CD2 PHE 123 36.753 31.137 −6.384 1.00 30.05 ATOM 1128 C PHE 123 32.305 30.910 −5.348 1.00 29.23 ATOM 1129 O PHE 123 31.490 30.395 −4.554 1.00 27.66 ATOM 1130 N THR 124 32.049 31.188 −6.648 1.00 28.92 ATOM 1131 CA THR 124 30.783 30.757 −7.277 1.00 28.20 ATOM 1132 CB THR 124 30.450 31.598 −8.576 1.00 29.27 ATOM 1133 OG1 THR 124 31.467 31.352 −9.534 1.00 27.12 ATOM 1134 CG2 THR 124 30.392 33.125 −8.296 1.00 23.99 ATOM 1135 C THR 124 30.834 29.237 −7.507 1.00 27.97 ATOM 1136 O THR 124 31.904 28.662 −7.567 1.00 28.78 ATOM 1137 N PRO 125 29.673 28.570 −7.534 1.00 28.21 ATOM 1138 CA PRO 125 29.598 27.112 −7.614 1.00 29.53 ATOM 1139 CB PRO 125 28.123 26.823 −7.416 1.00 28.34 ATOM 1140 CG PRO 125 27.414 28.147 −7.743 1.00 26.96 ATOM 1141 CD PRO 125 28.345 29.195 −7.362 1.00 27.65 ATOM 1142 C PRO 125 30.134 26.505 −8.911 1.00 32.62 ATOM 1143 O PRO 125 30.247 27.205 −9.893 1.00 34.11 ATOM 1144 N ARG 126 30.546 25.236 −8.878 1.00 33.81 ATOM 1145 CA ARG 126 30.975 24.493 −10.052 1.00 35.48 ATOM 1146 CB ARG 126 32.490 24.472 −10.203 1.00 35.66 ATOM 1147 CG ARG 126 33.118 25.809 −10.572 1.00 40.74 ATOM 1148 CD ARG 126 32.817 26.143 −12.054 1.00 46.49 ATOM 1149 NE ARG 126 33.147 27.523 −12.410 1.00 49.71 ATOM 1150 CZ ARG 126 32.238 28.394 −12.839 1.00 50.00 ATOM 1151 NH1 ARG 126 30.971 28.029 −12.960 1.00 50.10 ATOM 1152 NH2 ARG 126 32.595 29.619 −13.142 1.00 52.24 ATOM 1153 C ARG 126 30.529 23.113 −9.696 1.00 35.74 ATOM 1154 O ARG 126 30.854 22.620 −8.606 1.00 35.29 ATOM 1155 N GLY 127 29.742 22.499 −10.562 1.00 35.60 ATOM 1156 CA GLY 127 29.184 21.200 −10.246 1.00 36.66 ATOM 1157 C GLY 127 28.218 21.292 −9.065 1.00 37.25 ATOM 1158 O GLY 127 27.900 20.288 −8.435 1.00 38.77 ATOM 1159 N GLY 128 27.738 22.496 −8.783 1.00 36.25 ATOM 1160 CA GLY 128 26.713 22.701 −7.766 1.00 35.01 ATOM 1161 C GLY 128 27.235 22.934 −6.344 1.00 33.50 ATOM 1162 O GLY 128 26.438 23.003 −5.424 1.00 35.01 ATOM 1163 N ILE 129 28.545 23.072 −6.196 1.00 31.65 ATOM 1164 CA ILE 129 29.234 23.267 −4.944 1.00 30.62 ATOM 1165 CB ILE 129 30.129 22.051 −4.606 1.00 31.63 ATOM 1166 CG1 ILE 129 29.252 20.820 −4.408 1.00 31.67 ATOM 1167 CD1 ILE 129 29.988 19.620 −4.510 1.00 35.41 ATOM 1168 CG2 ILE 129 30.922 22.309 −3.282 1.00 30.84 ATOM 1169 C ILE 129 30.131 24.456 −5.011 1.00 29.88 ATOM 1170 O ILE 129 30.871 24.598 −5.966 1.00 29.04 ATOM 1171 N SER 130 30.086 25.315 −3.980 1.00 29.92 ATOM 1172 CA SER 130 30.966 26.468 −3.909 1.00 29.06 ATOM 1173 CB SER 130 30.155 27.751 −3.734 1.00 27.81 ATOM 1174 OG SER 130 29.155 27.530 −2.788 1.00 25.44 ATOM 1175 C SER 130 31.922 26.229 −2.755 1.00 29.57 ATOM 1176 O SER 130 31.550 25.527 −1.810 1.00 31.56 ATOM 1177 N ILE 131 33.126 26.798 −2.850 1.00 29.08 ATOM 1178 CA ILE 131 34.232 26.632 −1.908 1.00 28.86 ATOM 1179 CB ILE 131 35.472 26.113 −2.633 1.00 28.88 ATOM 1180 CG1 ILE 131 35.137 24.728 −3.222 1.00 30.52 ATOM 1181 CD1 ILE 131 36.134 24.187 −4.126 1.00 32.39 ATOM 1182 CG2 ILE 131 36.690 25.964 −1.707 1.00 25.09 ATOM 1183 C ILE 131 34.470 28.015 −1.326 1.00 29.72 ATOM 1184 O ILE 131 34.582 28.973 −2.091 1.00 30.15 ATOM 1185 N ASP 132 34.475 28.139 0.011 1.00 29.62 ATOM 1186 CA ASP 132 34.743 29.415 0.681 1.00 29.94 ATOM 1187 CB ASP 132 33.487 29.971 1.422 1.00 30.39 ATOM 1188 CG ASP 132 32.189 30.041 0.514 1.00 31.97 ATOM 1189 OD1 ASP 132 32.296 29.952 −0.726 1.00 33.78 ATOM 1190 OD2 ASP 132 31.054 30.178 1.032 1.00 31.91 ATOM 1191 C ASP 132 35.923 29.211 1.636 1.00 30.44 ATOM 1192 O ASP 132 35.741 28.788 2.783 1.00 31.92 ATOM 1193 N PRO 133 37.153 29.485 1.183 1.00 30.13 ATOM 1194 CA PRO 133 38.239 29.243 2.145 1.00 29.71 ATOM 1195 CB PRO 133 39.488 29.130 1.258 1.00 29.80 ATOM 1196 CG PRO 133 38.938 29.107 −0.247 1.00 27.63 ATOM 1197 CD PRO 133 37.680 29.934 −0.124 1.00 30.08 ATOM 1198 C PRO 133 38.416 30.458 3.009 1.00 29.71 ATOM 1199 O PRO 133 38.358 31.585 2.468 1.00 31.12 ATOM 1200 N TYR 134 38.712 30.237 4.304 1.00 28.33 ATOM 1201 CA TYR 134 38.946 31.331 5.265 1.00 27.96 ATOM 1202 CB TYR 134 37.788 31.438 6.250 1.00 27.23 ATOM 1203 CG TYR 134 38.095 32.272 7.441 1.00 28.31 ATOM 1204 CD1 TYR 134 38.591 31.679 8.625 1.00 28.38 ATOM 1205 CE1 TYR 134 38.937 32.486 9.731 1.00 28.02 ATOM 1206 CZ TYR 134 38.730 33.856 9.659 1.00 28.03 ATOM 1207 OH TYR 134 38.980 34.661 10.747 1.00 30.83 ATOM 1208 CE2 TYR 134 38.227 34.464 8.483 1.00 28.31 ATOM 1209 CD2 TYR 134 37.937 33.678 7.396 1.00 29.27 ATOM 1210 C TYR 134 40.252 31.102 5.987 1.00 28.16 ATOM 1211 O TYR 134 40.530 30.030 6.515 1.00 28.45 ATOM 1212 N THR 135 41.094 32.097 5.941 1.00 27.81 ATOM 1213 CA THR 135 42.428 31.899 6.426 1.00 27.88 ATOM 1214 CB THR 135 43.437 31.628 5.219 1.00 28.73 ATOM 1215 OG1 THR 135 44.671 31.038 5.696 1.00 31.06 ATOM 1216 CG2 THR 135 43.747 32.900 4.368 1.00 27.19 ATOM 1217 C THR 135 42.713 33.144 7.270 1.00 27.23 ATOM 1218 O THR 135 42.158 34.234 6.996 1.00 23.53 ATOM 1219 N ASN 136 43.475 32.976 8.348 1.00 27.08 ATOM 1220 CA ASN 136 43.851 34.163 9.167 1.00 29.24 ATOM 1221 CB ASN 136 42.764 34.542 10.211 1.00 28.26 ATOM 1222 CG ASN 136 42.710 33.564 11.377 1.00 30.88 ATOM 1223 OD1 ASN 136 43.605 32.779 11.509 1.00 29.56 ATOM 1224 ND2 ASN 136 41.632 33.580 12.182 1.00 25.17 ATOM 1225 C ASN 136 45.285 34.078 9.761 1.00 30.07 ATOM 1226 O ASN 136 45.968 33.088 9.549 1.00 30.23 ATOM 1227 N TYR 137 45.740 35.121 10.455 1.00 30.31 ATOM 1228 CA TYR 137 47.085 35.157 11.006 1.00 31.36 ATOM 1229 CB TYR 137 48.097 35.441 9.903 1.00 31.97 ATOM 1230 CG TYR 137 49.433 36.028 10.364 1.00 33.54 ATOM 1231 CD1 TYR 137 49.583 37.430 10.570 1.00 31.94 ATOM 1232 CE1 TYR 137 50.790 37.969 10.986 1.00 31.39 ATOM 1233 CZ TYR 137 51.863 37.105 11.187 1.00 30.94 ATOM 1234 OH TYR 137 53.051 37.631 11.554 1.00 37.36 ATOM 1235 CE2 TYR 137 51.762 35.737 10.976 1.00 32.11 ATOM 1236 CD2 TYR 137 50.552 35.199 10.572 1.00 30.78 ATOM 1237 C TYR 137 47.128 36.277 12.034 1.00 31.66 ATOM 1238 O TYR 137 46.534 37.308 11.829 1.00 31.62 ATOM 1239 N GLY 138 47.783 36.037 13.166 1.00 31.67 ATOM 1240 CA GLY 138 48.116 37.081 14.124 1.00 30.88 ATOM 1241 C GLY 138 49.626 37.022 14.391 1.00 30.93 ATOM 1242 O GLY 138 50.207 35.962 14.307 1.00 31.01 ATOM 1243 N MET 147 43.798 36.192 19.149 1.00 32.75 ATOM 1244 CA MET 147 42.702 36.672 18.316 1.00 30.67 ATOM 1245 CB MET 147 42.994 38.084 17.840 1.00 31.80 ATOM 1246 CG MET 147 41.875 38.652 16.930 1.00 30.09 ATOM 1247 SD MET 147 42.305 40.358 16.648 1.00 30.02 ATOM 1248 CE MET 147 41.099 40.698 15.321 1.00 30.61 ATOM 1249 C MET 147 42.448 35.773 17.117 1.00 29.50 ATOM 1250 O MET 147 41.366 35.385 16.916 1.00 30.49 ATOM 1251 N ALA 148 43.463 35.412 16.368 1.00 29.89 ATOM 1252 CA ALA 148 43.339 34.549 15.205 1.00 29.83 ATOM 1253 CB ALA 148 44.717 34.332 14.533 1.00 29.82 ATOM 1254 C ALA 148 42.758 33.228 15.539 1.00 31.08 ATOM 1255 O ALA 148 41.844 32.757 14.817 1.00 30.18 ATOM 1256 N GLU 149 43.297 32.604 16.602 1.00 31.71 ATOM 1257 CA GLU 149 42.851 31.281 17.096 1.00 33.63 ATOM 1258 CB GLU 149 43.717 30.808 18.311 1.00 33.63 ATOM 1259 CG GLU 149 45.126 30.241 17.911 1.00 38.61 ATOM 1260 CD GLU 149 46.205 30.176 19.069 1.00 39.74 ATOM 1261 OE1 GLU 149 45.849 30.330 20.282 1.00 43.99 ATOM 1262 OE2 GLU 149 47.410 29.972 18.726 1.00 42.65 ATOM 1263 C GLU 149 41.405 31.378 17.507 1.00 32.86 ATOM 1264 O GLU 149 40.589 30.500 17.200 1.00 33.25 ATOM 1265 N TYR 150 41.056 32.482 18.163 1.00 32.24 ATOM 1266 CA TYR 150 39.649 32.716 18.553 1.00 31.77 ATOM 1267 CB TYR 150 39.598 33.963 19.412 1.00 32.30 ATOM 1268 CG TYR 150 38.236 34.486 19.680 1.00 32.47 ATOM 1269 CD1 TYR 150 37.538 34.059 20.789 1.00 34.98 ATOM 1270 CE1 TYR 150 36.301 34.506 21.067 1.00 34.89 ATOM 1271 CZ TYR 150 35.719 35.413 20.217 1.00 36.73 ATOM 1272 OH TYR 150 34.447 35.847 20.539 1.00 39.31 ATOM 1273 CE2 TYR 150 36.379 35.863 19.086 1.00 33.73 ATOM 1274 CD2 TYR 150 37.639 35.398 18.833 1.00 32.38 ATOM 1275 C TYR 150 38.693 32.860 17.331 1.00 32.00 ATOM 1276 O TYR 150 37.574 32.305 17.331 1.00 32.15 ATOM 1277 N ARG 151 39.104 33.631 16.319 1.00 31.02 ATOM 1278 CA ARG 151 38.239 33.874 15.138 1.00 30.65 ATOM 1279 CB ARG 151 38.673 35.125 14.381 1.00 29.18 ATOM 1280 CG ARG 151 38.528 36.349 15.209 1.00 28.55 ATOM 1281 CD ARG 151 39.048 37.619 14.527 1.00 33.71 ATOM 1282 NE ARG 151 38.349 37.985 13.283 1.00 30.74 ATOM 1283 CZ ARG 151 37.469 38.984 13.166 1.00 31.02 ATOM 1284 NH1 ARG 151 37.140 39.734 14.205 1.00 23.02 ATOM 1285 NH2 ARG 151 36.916 39.242 11.984 1.00 30.86 ATOM 1286 C ARG 151 38.191 32.628 14.228 1.00 31.10 ATOM 1287 O ARG 151 37.192 32.394 13.489 1.00 31.98 ATOM 1288 N MET 152 39.247 31.819 14.314 1.00 30.71 ATOM 1289 CA MET 152 39.290 30.518 13.664 1.00 31.80 ATOM 1290 CB MET 152 40.758 30.039 13.598 1.00 30.94 ATOM 1291 CG MET 152 41.044 28.908 12.619 1.00 32.09 ATOM 1292 SD MET 152 40.504 29.165 10.892 1.00 30.65 ATOM 1293 CE MET 152 41.741 30.294 10.351 1.00 34.00 ATOM 1294 C MET 152 38.336 29.540 14.383 1.00 32.90 ATOM 1295 O MET 152 37.470 28.885 13.768 1.00 34.03 ATOM 1296 N MET 153 38.446 29.481 15.705 1.00 34.78 ATOM 1297 CA MET 153 37.679 28.520 16.514 1.00 36.74 ATOM 1298 CB MET 153 38.173 28.550 17.984 1.00 35.77 ATOM 1299 CG MET 153 37.296 27.780 18.995 1.00 40.50 ATOM 1300 SD MET 153 38.145 27.270 20.576 1.00 45.95 ATOM 1301 CE MET 153 39.344 26.101 19.938 1.00 42.27 ATOM 1302 C MET 153 36.200 28.816 16.445 1.00 33.55 ATOM 1303 O MET 153 35.352 27.903 16.495 1.00 34.35 ATOM 1304 N ASN 154 35.888 30.104 16.376 1.00 31.98 ATOM 1305 CA ASN 154 34.529 30.550 16.228 1.00 30.84 ATOM 1306 CB ASN 154 34.303 31.793 17.078 1.00 31.28 ATOM 1307 CG ASN 154 34.374 31.473 18.547 1.00 33.63 ATOM 1308 OD1 ASN 154 33.378 31.052 19.153 1.00 32.40 ATOM 1309 ND2 ASN 154 35.593 31.551 19.102 1.00 34.73 ATOM 1310 C ASN 154 34.099 30.851 14.790 1.00 30.53 ATOM 1311 O ASN 154 33.034 31.444 14.582 1.00 30.17 ATOM 1312 N HIS 155 34.926 30.488 13.816 1.00 29.30 ATOM 1313 CA HIS 155 34.622 30.807 12.411 1.00 29.01 ATOM 1314 CB HIS 155 35.757 30.441 11.472 1.00 28.17 ATOM 1315 CG HIS 155 35.449 30.740 10.038 1.00 30.06 ATOM 1316 ND1 HIS 155 35.256 32.029 9.572 1.00 31.22 ATOM 1317 CE1 HIS 155 34.997 31.982 8.276 1.00 29.19 ATOM 1318 NE2 HIS 155 35.034 30.713 7.885 1.00 27.27 ATOM 1319 CD2 HIS 155 35.292 29.916 8.969 1.00 25.44 ATOM 1320 C HIS 155 33.392 30.102 11.974 1.00 27.94 ATOM 1321 O HIS 155 33.296 28.873 12.032 1.00 28.54 ATOM 1322 N ASP 156 32.412 30.886 11.585 1.00 28.59 ATOM 1323 CA ASP 156 31.303 30.386 10.803 1.00 30.00 ATOM 1324 CB ASP 156 31.809 29.645 9.570 1.00 29.71 ATOM 1325 CG ASP 156 30.947 29.879 8.329 1.00 31.63 ATOM 1326 OD1 ASP 156 30.121 30.803 8.325 1.00 26.87 ATOM 1327 OD2 ASP 156 31.134 29.109 7.336 1.00 32.52 ATOM 1328 C ASP 156 30.467 29.456 11.603 1.00 31.07 ATOM 1329 O ASP 156 30.092 28.419 11.093 1.00 30.99 ATOM 1330 N LEU 157 30.158 29.811 12.847 1.00 31.23 ATOM 1331 CA LEU 157 29.223 28.981 13.608 1.00 32.44 ATOM 1332 CB LEU 157 29.208 29.367 15.101 1.00 32.22 ATOM 1333 CG LEU 157 30.542 29.260 15.869 1.00 30.97 ATOM 1334 CD1 LEU 157 30.911 27.809 16.005 1.00 31.32 ATOM 1335 CD2 LEU 157 30.415 29.885 17.246 1.00 32.91 ATOM 1336 C LEU 157 27.824 29.055 13.023 1.00 33.72 ATOM 1337 O LEU 157 26.931 28.288 13.398 1.00 34.82 ATOM 1338 N TYR 158 27.590 29.993 12.127 1.00 34.25 ATOM 1339 CA TYR 158 26.289 30.038 11.494 1.00 35.32 ATOM 1340 CB TYR 158 25.449 31.143 12.103 1.00 38.31 ATOM 1341 CG TYR 158 25.008 30.850 13.523 1.00 40.98 ATOM 1342 CD1 TYR 158 25.679 31.417 14.634 1.00 41.83 ATOM 1343 CE1 TYR 158 25.259 31.146 15.946 1.00 42.46 ATOM 1344 CZ TYR 158 24.155 30.300 16.131 1.00 44.17 ATOM 1345 OH TYR 158 23.669 29.977 17.392 1.00 45.50 ATOM 1346 CE2 TYR 158 23.496 29.724 15.039 1.00 45.65 ATOM 1347 CD2 TYR 158 23.932 29.999 13.751 1.00 43.05 ATOM 1348 C TYR 158 26.475 30.269 10.027 1.00 34.73 ATOM 1349 O TYR 158 26.436 31.395 9.575 1.00 33.68 ATOM 1350 N PRO 159 26.667 29.200 9.266 1.00 33.61 ATOM 1351 CA PRO 159 26.979 29.445 7.861 1.00 33.70 ATOM 1352 CB PRO 159 27.190 28.029 7.274 1.00 33.63 ATOM 1353 CG PRO 159 27.209 27.046 8.425 1.00 33.25 ATOM 1354 CD PRO 159 26.455 27.780 9.563 1.00 35.00 ATOM 1355 C PRO 159 25.762 30.067 7.145 1.00 33.49 ATOM 1356 O PRO 159 24.628 29.547 7.270 1.00 32.86 ATOM 1357 N GLU 160 25.999 31.122 6.365 1.00 32.56 ATOM 1358 CA GLU 160 24.949 31.707 5.521 1.00 31.97 ATOM 1359 CB GLU 160 25.545 32.837 4.689 1.00 32.57 ATOM 1360 CG GLU 160 26.075 32.287 3.405 1.00 37.82 ATOM 1361 CD GLU 160 27.293 33.033 2.868 1.00 43.23 ATOM 1362 OE1 GLU 160 27.156 34.148 2.291 1.00 37.19 ATOM 1363 OE2 GLU 160 28.378 32.440 3.020 1.00 47.52 ATOM 1364 C GLU 160 24.272 30.659 4.600 1.00 30.03 ATOM 1365 O GLU 160 24.863 29.646 4.221 1.00 27.68 ATOM 1366 N THR 161 22.990 30.872 4.319 1.00 29.69 ATOM 1367 CA THR 161 22.218 29.964 3.480 1.00 30.14 ATOM 1368 CB THR 161 20.774 30.376 3.569 1.00 30.65 ATOM 1369 OG1 THR 161 20.387 30.230 4.913 1.00 32.28 ATOM 1370 CG2 THR 161 19.827 29.504 2.662 1.00 27.14 ATOM 1371 C THR 161 22.659 30.178 2.027 1.00 30.38 ATOM 1372 O THR 161 22.796 31.324 1.600 1.00 30.40 ATOM 1373 N ILE 162 22.935 29.099 1.313 1.00 30.78 ATOM 1374 CA ILE 162 23.431 29.167 −0.056 1.00 30.99 ATOM 1375 CB ILE 162 24.884 28.742 −0.140 1.00 32.08 ATOM 1376 CG1 ILE 162 25.777 29.785 0.567 1.00 31.38 ATOM 1377 CD1 ILE 162 26.002 31.067 −0.248 1.00 32.15 ATOM 1378 CG2 ILE 162 25.318 28.547 −1.622 1.00 30.31 ATOM 1379 C ILE 162 22.526 28.265 −0.884 1.00 31.78 ATOM 1380 O ILE 162 22.293 27.156 −0.495 1.00 30.57 ATOM 1381 N ASP 163 21.900 28.794 −1.940 1.00 33.05 ATOM 1382 CA ASP 163 21.007 27.980 −2.768 1.00 34.39 ATOM 1383 CB ASP 163 19.574 28.461 −2.647 1.00 34.34 ATOM 1384 CG ASP 163 19.391 29.877 −3.148 1.00 35.74 ATOM 1385 OD1 ASP 163 18.238 30.306 −3.205 1.00 36.46 ATOM 1386 OD2 ASP 163 20.389 30.588 −3.455 1.00 37.00 ATOM 1387 C ASP 163 21.440 27.997 −4.235 1.00 35.45 ATOM 1388 O ASP 163 20.769 27.435 −5.106 1.00 36.25 ATOM 1389 N ASN 164 22.549 28.669 −4.503 1.00 35.87 ATOM 1390 CA ASN 164 23.118 28.694 −5.850 1.00 37.23 ATOM 1391 CB ASN 164 23.262 27.279 −6.439 1.00 36.18 ATOM 1392 CG ASN 164 24.431 26.534 −5.820 1.00 38.54 ATOM 1393 OD1 ASN 164 25.175 27.109 −4.993 1.00 35.02 ATOM 1394 ND2 ASN 164 24.601 25.253 −6.191 1.00 36.60 ATOM 1395 C ASN 164 22.419 29.671 −6.794 1.00 37.19 ATOM 1396 O ASN 164 22.632 29.654 −7.995 1.00 37.79 ATOM 1397 O6 GDQ 201 41.711 55.587 1.265 1.00 47.86 ATOM 1398 C6 GDQ 201 42.655 54.798 0.686 1.00 49.13 ATOM 1399 N1 GDQ 201 43.162 53.755 1.386 1.00 48.48 ATOM 1400 C5 GDQ 201 43.114 55.030 −0.629 1.00 50.29 ATOM 1401 C7 GDQ 201 42.895 55.934 −1.676 1.00 49.19 ATOM 1402 C77 GDQ 201 42.018 56.941 −1.586 1.00 49.79 ATOM 1403 N77 GDQ 201 41.272 57.892 −1.409 1.00 52.99 ATOM 1404 C8 GDQ 201 43.665 55.676 −2.796 1.00 48.54 ATOM 1405 N9 GDQ 201 44.390 54.565 −2.444 1.00 49.38 ATOM 1406 C4 GDQ 201 44.083 54.188 −1.156 1.00 49.87 ATOM 1407 N3 GDQ 201 44.571 53.140 −0.425 1.00 49.70 ATOM 1408 C2 GDQ 201 44.090 52.944 0.845 1.00 48.62 ATOM 1409 N2 GDQ 201 44.543 51.925 1.604 1.00 49.10 ATOM 1410 O HOH 2 31.164 31.668 3.435 1.00 42.48 ATOM 1411 O HOH 5 28.577 32.011 6.254 1.00 28.13 ATOM 1412 O HOH 11 27.237 28.759 3.717 1.00 29.18 ATOM 1413 O HOH 14 35.602 34.179 11.624 1.00 40.75 ATOM 1414 O HOH 21 34.776 29.404 5.329 1.00 36.58 ATOM 1415 O HOH 28 37.213 43.349 −6.645 1.00 32.19 ATOM 1416 O HOH 29 25.550 20.494 −3.901 1.00 31.47 ATOM 1417 O HOH 38 46.493 24.006 −0.542 1.00 64.45 ATOM 1418 O HOH 39 43.905 16.792 5.832 1.00 31.88 ATOM 1419 O HOH 55 28.165 24.628 15.612 1.00 39.26 ATOM 1420 O HOH 62 32.642 34.012 11.443 1.00 33.39 ATOM 1421 O HOH 81 41.467 38.575 −11.129 1.00 28.53 ATOM 1422 O HOH 85 33.858 30.129 −9.676 1.00 40.55 ATOM 1423 O HOH 91 40.438 40.261 −13.243 1.00 37.54 ATOM 1424 O HOH 95 39.343 20.922 −0.293 1.00 39.15 ATOM 1425 O HOH 97 46.821 13.555 −1.585 1.00 53.00 ATOM 1426 O HOH 101 53.169 24.607 4.499 1.00 75.13 ATOM 1427 O HOH 107 35.749 36.538 10.189 1.00 34.93 ATOM 1428 O HOH 111 54.507 23.595 8.391 1.00 58.79 ATOM 1429 O HOH 121 33.848 37.905 −9.462 1.00 33.91 ATOM 1430 O HOH 139 33.658 27.104 −6.034 1.00 28.22 ATOM 1431 O HOH 150 18.754 25.713 −4.850 1.00 44.55 ATOM 1432 O HOH 161 46.240 14.862 6.404 1.00 49.17 ATOM 1433 O HOH 173 50.984 17.080 9.784 1.00 40.94 ATOM 1434 O HOH 177 26.885 16.404 −5.565 1.00 41.52 ATOM 1435 O HOH 179 39.434 31.902 −9.906 1.00 53.82 ATOM 1436 O HOH 183 33.535 24.085 −6.521 1.00 36.87 ATOM 1437 O HOH 185 30.791 32.824 14.407 1.00 39.43 ATOM 1438 O HOH 201 32.800 16.631 −15.414 1.00 65.86 ATOM 1439 O HOH 208 41.964 29.696 −9.354 1.00 48.14 ATOM 1440 O HOH 212 20.741 26.123 4.224 1.00 49.25 ATOM 1441 O HOH 215 27.135 24.604 −10.591 1.00 33.08 ATOM 1442 O HOH 224 54.306 36.012 4.638 1.00 52.97 ATOM 1443 O HOH 229 33.011 27.227 7.207 1.00 48.87 ATOM 1444 O HOH 233 39.469 41.771 −11.073 1.00 44.46 ATOM 1445 O HOH 243 38.885 44.939 −8.276 1.00 32.22 ATOM 1446 O HOH 244 51.965 20.570 −4.539 1.00 51.66 ATOM 1447 O HOH 247 40.925 43.860 −8.562 1.00 38.90 ATOM 1448 O HOH 255 45.134 33.203 −19.047 1.00 54.17 TER

TABLE 4 REMARK Accelrys ViewerPro PDB file REMARK Created: Tue Dec 14 10:17:46 Pacific Standard Time 2010 ATOM  1 N VAL  30 53.715 44.304  −7.467 1.00 45.50 ATOM  2 CA VAL  30 52.899 45.528  −7.615 1.00 44.60 ATOM  3 CB VAL  30 51.745 45.426  −8.661 1.00 44.72 ATOM  4 CG1 VAL  30 50.776 44.265  −8.361 1.00 44.74 ATOM  5 CG2 VAL  30 52.308 45.344 −10.047 1.00 46.76 ATOM  6 C VAL  30 52.352 46.105  −6.291 1.00 43.05 ATOM  7 O VAL  30 52.036 47.289  −6.214 1.00 42.14 ATOM  8 N LEU  31 52.268 45.259  −5.274 1.00 42.07 ATOM  9 CA LEU  31 51.779 45.640  −3.958 1.00 41.72 ATOM  10 CB LEU  31 51.796 44.412  −3.040 1.00 40.32 ATOM  11 CG LEU  31 50.650 43.413  −3.223 1.00 38.67 ATOM  12 CD1 LEU  31 50.827 42.143  −2.358 1.00 36.74 ATOM  13 CD2 LEU  31 49.287 44.090  −2.955 1.00 34.32 ATOM  14 C LEU  31 52.548 46.829  −3.362 1.00 42.69 ATOM  15 O LEU  31 53.750 46.952  −3.556 1.00 42.85 ATOM  16 N GLU  32 51.852 47.717  −2.658 1.00 43.58 ATOM  17 CA GLU  32 52.489 48.893  −2.090 1.00 45.28 ATOM  18 CB GLU  32 52.443 50.086  −3.049 1.00 45.66 ATOM  19 CG GLU  32 53.519 50.136  −4.068 1.00 51.00 ATOM  20 CD GLU  32 53.184 51.101  −5.180 1.00 58.30 ATOM  21 OE1 GLU  32 52.900 50.612  −6.300 1.00 62.65 ATOM  22 OE2 GLU  32 53.172 52.338  −4.946 1.00 61.68 ATOM  23 C GLU  32 51.774 49.325  −0.826 1.00 45.57 ATOM  24 O GLU  32 50.571 49.069  −0.658 1.00 43.65 ATOM  25 N SER  33 52.519 50.067    0.005 1.00 46.01 ATOM  26 CA SER  33 52.084 50.499    1.324 1.00 46.38 ATOM  27 CB SER  33 52.769 49.663    2.411 1.00 47.20 ATOM  28 OG SER  33 54.189 49.706    2.281 1.00 46.32 ATOM  29 C SER  33 52.439 51.939    1.556 1.00 46.76 ATOM  30 O SER  33 53.371 52.484    0.954 1.00 46.67 ATOM  31 N PHE  34 51.681 52.555    2.448 1.00 46.73 ATOM  32 CA PHE  34 52.021 53.849    3.001 1.00 46.41 ATOM  33 CB PHE  34 51.013 54.896    2.556 1.00 45.30 ATOM  34 CG PHE  34 49.594 54.569    2.895 1.00 45.08 ATOM  35 CD1 PHE  34 48.868 53.647    2.127 1.00 41.96 ATOM  36 CE1 PHE  34 47.543 53.362    2.414 1.00 40.06 ATOM  37 CZ PHE  34 46.901 53.994    3.468 1.00 41.83 ATOM  38 CE2 PHE  34 47.603 54.915    4.258 1.00 43.64 ATOM  39 CD2 PHE  34 48.947 55.219    3.957 1.00 43.81 ATOM  40 C PHE  34 52.063 53.662    4.527 1.00 46.92 ATOM  41 O PHE  34 51.603 52.622    5.031 1.00 47.04 ATOM  42 N PRO  35 52.662 54.621    5.269 1.00 47.32 ATOM  43 CA PRO  35 52.757 54.444    6.735 1.00 46.30 ATOM  44 CB PRO  35 53.589 55.648    7.198 1.00 46.28 ATOM  45 CG PRO  35 54.283 56.171    5.902 1.00 48.44 ATOM  46 CD PRO  35 53.277 55.891    4.818 1.00 47.47 ATOM  47 C PRO  35 51.388 54.535    7.394 1.00 45.82 ATOM  48 O PRO  35 50.560 55.358    6.972 1.00 45.81 ATOM  49 N ASN  36 51.170 53.704    8.420 1.00 44.03 ATOM  50 CA ASN  36 50.077 53.867    9.350 1.00 43.55 ATOM  51 CB ASN  36 50.062 52.647   10.269 1.00 42.05 ATOM  52 CG ASN  36 48.878 52.584   11.215 1.00 39.57 ATOM  53 OD1 ASN  36 48.758 51.605   11.987 1.00 36.94 ATOM  54 ND2 ASN  36 48.007 53.588   11.188 1.00 36.21 ATOM  55 C ASN  36 50.322 55.172   10.124 1.00 45.04 ATOM  56 O ASN  36 51.369 55.382   10.742 1.00 46.02 ATOM  57 N LYS  37 49.355 56.069   10.097 1.00 46.02 ATOM  58 CA LYS  37 49.499 57.315   10.816 1.00 45.91 ATOM  59 CB LYS  37 48.832 58.455   10.025 1.00 46.87 ATOM  60 CG LYS  37 49.714 59.013    8.879 1.00 47.18 ATOM  61 CD LYS  37 49.117 60.295    8.260 1.00 48.96 ATOM  62 CE LYS  37 50.206 61.168    7.571 1.00 52.78 ATOM  63 NZ LYS  37 49.706 61.921    6.351 1.00 56.07 ATOM  64 C LYS  37 48.929 57.182   12.241 1.00 45.25 ATOM  65 O LYS  37 48.996 58.124   13.016 1.00 45.71 ATOM  66 N HIS  38 48.356 56.023   12.582 1.00 43.59 ATOM  67 CA HIS  38 47.737 55.823   13.896 1.00 41.86 ATOM  68 CB HIS  38 46.217 55.919   13.821 1.00 41.44 ATOM  69 CG HIS  38 45.756 57.245   13.326 1.00 41.29 ATOM  70 ND1 HIS  38 45.596 57.525   11.979 1.00 44.16 ATOM  71 CE1 HIS  38 45.224 58.786   11.836 1.00 41.85 ATOM  72 NE2 HIS  38 45.152 59.333   13.037 1.00 41.53 ATOM  73 CD2 HIS  38 45.487 58.394   13.985 1.00 38.32 ATOM  74 C HIS  38 48.205 54.506   14.445 1.00 41.25 ATOM  75 O HIS  38 47.411 53.643   14.797 1.00 41.21 ATOM  76 N VAL  39 49.526 54.384   14.497 1.00 41.34 ATOM  77 CA VAL  39 50.254 53.203   14.934 1.00 42.22 ATOM  78 CB VAL  39 51.779 53.421   14.851 1.00 41.92 ATOM  79 CG1 VAL  39 52.501 52.116   15.067 1.00 43.48 ATOM  80 CG2 VAL  39 52.159 53.951   13.502 1.00 43.32 ATOM  81 C VAL  39 49.924 52.771   16.350 1.00 41.82 ATOM  82 O VAL  39 49.855 51.599   16.626 1.00 42.98 ATOM  83 N ASP  40 49.695 53.698   17.244 1.00 42.89 ATOM  84 CA ASP  40 49.601 53.322   18.661 1.00 44.67 ATOM  85 CB ASP  40 50.053 54.484   19.573 1.00 44.89 ATOM  86 CG ASP  40 51.533 54.935   19.283 1.00 49.16 ATOM  87 OD1 ASP  40 52.421 54.052   19.087 1.00 48.00 ATOM  88 OD2 ASP  40 51.804 56.184   19.236 1.00 52.73 ATOM  89 C ASP  40 48.215 52.847   18.988 1.00 44.01 ATOM  90 O ASP  40 47.853 52.711   20.133 1.00 45.24 ATOM  91 N ARG  41 47.438 52.569   17.957 1.00 43.43 ATOM  92 CA ARG  41 46.019 52.229   18.130 1.00 42.17 ATOM  93 CB ARG  41 45.179 53.439   17.715 1.00 41.97 ATOM  94 CG ARG  41 43.710 53.179   17.767 1.00 43.99 ATOM  95 CD ARG  41 42.984 54.369   17.283 1.00 47.23 ATOM  96 NE ARG  41 42.978 55.410   18.307 1.00 48.29 ATOM  97 CZ ARG  41 42.736 56.693   18.072 1.00 48.38 ATOM  98 NH1 ARG  41 42.465 57.113   16.830 1.00 46.27 ATOM  99 NH2 ARG  41 42.749 57.552   19.094 1.00 49.60 ATOM 100 C ARG  41 45.664 50.992   17.292 1.00 40.27 ATOM 101 O ARG  41 46.138 50.836   16.178 1.00 39.42 ATOM 102 N ASP  42 44.867 50.090   17.841 1.00 39.05 ATOM 103 CA ASP  42 44.358 48.965   17.044 1.00 37.67 ATOM 104 CB ASP  42 44.076 47.801   17.941 1.00 37.69 ATOM 105 CG ASP  42 45.299 47.103   18.344 1.00 37.73 ATOM 106 OD1 ASP  42 46.389 47.370   17.772 1.00 37.62 ATOM 107 OD2 ASP  42 45.152 46.239   19.207 1.00 42.01 ATOM 108 C ASP  42 43.081 49.300   16.290 1.00 36.81 ATOM 109 O ASP  42 42.080 49.618   16.901 1.00 37.53 ATOM 110 N TYR  43 43.094 49.232   14.963 1.00 35.86 ATOM 111 CA TYR  43 41.845 49.384   14.221 1.00 34.34 ATOM 112 CB TYR  43 41.606 50.848   13.825 1.00 34.51 ATOM 113 CG TYR  43 42.620 51.403   12.875 1.00 35.13 ATOM 114 CD1 TYR  43 43.789 52.021   13.353 1.00 35.36 ATOM 115 CE1 TYR  43 44.713 52.568   12.476 1.00 35.91 ATOM 116 CZ TYR  43 44.482 52.488   11.092 1.00 36.72 ATOM 117 OH TYR  43 45.423 53.020   10.229 1.00 39.91 ATOM 118 CE2 TYR  43 43.341 51.894   10.591 1.00 35.17 ATOM 119 CD2 TYR  43 42.406 51.355   11.490 1.00 33.94 ATOM 120 C TYR  43 41.778 48.416   13.037 1.00 33.02 ATOM 121 O TYR  43 42.773 47.896   12.622 1.00 33.74 ATOM 122 N PHE  44 40.584 48.157   12.534 1.00 31.52 ATOM 123 CA PHE  44 40.380 47.193   11.477 1.00 30.42 ATOM 124 CB PHE  44 39.121 46.371   11.785 1.00 28.05 ATOM 125 CG PHE  44 39.368 44.908   12.102 1.00 26.16 ATOM 126 CD1 PHE  44 38.895 44.360   13.296 1.00 23.64 ATOM 127 CE1 PHE  44 39.048 43.004   13.579 1.00 26.96 ATOM 128 CZ PHE  44 39.695 42.170   12.652 1.00 27.27 ATOM 129 CE2 PHE  44 40.193 42.728   11.450 1.00 24.84 ATOM 130 CD2 PHE  44 40.022 44.075   11.193 1.00 23.20 ATOM 131 C PHE  44 40.201 47.957   10.126 1.00 30.58 ATOM 132 O PHE  44 39.488 48.958   10.052 1.00 30.26 ATOM 133 N VAL  45 40.882 47.487    9.094 1.00 29.38 ATOM 134 CA VAL  45 40.578 47.889    7.737 1.00 29.28 ATOM 135 CB VAL  45 41.844 48.431    7.053 1.00 29.71 ATOM 136 CG1 VAL  45 42.424 49.563    7.910 1.00 27.42 ATOM 137 CG2 VAL  45 41.512 48.887    5.625 1.00 27.61 ATOM 138 C VAL  45 40.073 46.699    6.946 1.00 28.37 ATOM 139 O VAL  45 40.775 45.707    6.881 1.00 29.10 ATOM 140 N LYS  46 38.862 46.788    6.372 1.00 27.37 ATOM 141 CA LYS  46 38.313 45.744    5.461 1.00 26.68 ATOM 142 CB LYS  46 36.862 45.397    5.804 1.00 26.88 ATOM 143 CG LYS  46 36.313 44.223    4.931 1.00 25.08 ATOM 144 CD LYS  46 34.964 43.720    5.314 1.00 25.24 ATOM 145 CE LYS  46 34.072 44.791    5.955 1.00 28.89 ATOM 146 NZ LYS  46 32.686 44.222    6.181 1.00 26.14 ATOM 147 C LYS  46 38.344 46.164    3.973 1.00 27.02 ATOM 148 O LYS  46 37.964 47.250    3.629 1.00 27.01 ATOM 149 N PHE  47 38.863 45.314    3.111 1.00 28.84 ATOM 150 CA PHE  47 38.615 45.418    1.644 1.00 29.05 ATOM 151 CB PHE  47 39.885 45.190    0.860 1.00 28.82 ATOM 152 CG PHE  47 40.967 46.166    1.206 1.00 33.70 ATOM 153 CD1 PHE  47 41.906 45.865    2.202 1.00 33.29 ATOM 154 CE1 PHE  47 42.870 46.771    2.548 1.00 37.36 ATOM 155 CZ PHE  47 42.947 48.011    1.876 1.00 36.77 ATOM 156 CE2 PHE  47 42.036 48.328    0.902 1.00 35.15 ATOM 157 CD2 PHE  47 41.028 47.407    0.580 1.00 35.97 ATOM 158 C PHE  47 37.557 44.433    1.154 1.00 29.27 ATOM 159 O PHE  47 37.656 43.228    1.388 1.00 28.82 ATOM 160 N ASN  48 36.544 44.969    0.481 1.00 29.67 ATOM 161 CA ASN  48 35.565 44.180  −0.238 1.00 29.45 ATOM 162 CB ASN  48 34.187 44.785  −0.092 1.00 29.55 ATOM 163 CG ASN  48 33.812 45.036    1.358 1.00 31.72 ATOM 164 OD1 ASN  48 33.656 44.091    2.151 1.00 31.64 ATOM 165 ND2 ASN  48 33.639 46.309    1.710 1.00 28.68 ATOM 166 C ASN  48 35.966 44.089  −1.712 1.00 29.39 ATOM 167 O ASN  48 36.181 45.074  −2.366 1.00 30.66 ATOM 168 N CYS  49 36.121 42.882  −2.215 1.00 28.93 ATOM 169 CA CYS  49 36.691 42.691  −3.539 1.00 28.55 ATOM 170 CB CYS  49 38.122 42.139  −3.427 1.00 28.66 ATOM 171 SG CYS  49 39.169 42.982  −2.155 1.00 32.73 ATOM 172 C CYS  49 35.822 41.722  −4.303 1.00 27.45 ATOM 173 O CYS  49 36.163 40.571  −4.400 1.00 27.31 ATOM 174 N PRO  50 34.677 42.187  −4.815 1.00 26.98 ATOM 175 CA PRO  50 33.704 41.358  −5.540 1.00 28.14 ATOM 176 CB PRO  50 32.460 42.229  −5.577 1.00 27.05 ATOM 177 CG PRO  50 32.834 43.500  −4.917 1.00 27.46 ATOM 178 CD PRO  50 34.269 43.589  −4.773 1.00 26.73 ATOM 179 C PRO  50 34.131 41.021  −6.992 1.00 28.93 ATOM 180 O PRO  50 33.454 40.277  −7.662 1.00 29.56 ATOM 181 N GLU  51 35.239 41.550  −7.471 1.00 28.99 ATOM 182 CA GLU  51 35.542 41.364  −8.882 1.00 30.87 ATOM 183 CB GLU  51 35.773 42.743  −9.531 1.00 29.68 ATOM 184 CG GLU  51 34.461 43.552  −9.722 1.00 30.84 ATOM 185 CD GLU  51 34.670 45.005 −10.178 1.00 32.39 ATOM 186 OE1 GLU  51 35.770 45.326 −10.657 1.00 32.62 ATOM 187 OE2 GLU  51 33.746 45.863 −10.020 1.00 37.18 ATOM 188 C GLU  51 36.729 40.420  −9.058 1.00 30.84 ATOM 189 O GLU  51 37.434 40.492 −10.035 1.00 32.13 ATOM 190 N THR  66 33.959 36.665  −4.539 1.00 27.88 ATOM 191 CA THR  66 34.161 37.880  −3.739 1.00 29.11 ATOM 192 CB THR  66 32.865 38.324  −3.064 1.00 28.62 ATOM 193 OG1 THR  66 31.893 38.546  −4.055 1.00 32.67 ATOM 194 CG2 THR  66 33.026 39.699  −2.321 1.00 30.63 ATOM 195 C THR  66 35.230 37.545  −2.666 1.00 29.04 ATOM 196 O THR  66 35.157 36.496  −2.006 1.00 29.39 ATOM 197 N ILE  67 36.187 38.435  −2.463 1.00 29.87 ATOM 198 CA ILE  67 37.164 38.251  −1.396 1.00 29.83 ATOM 199 CB ILE  67 38.587 38.232  −1.944 1.00 30.58 ATOM 200 CG1 ILE  67 38.746 37.168  −3.049 1.00 28.17 ATOM 201 CD1 ILE  67 40.222 37.168  −3.597 1.00 30.71 ATOM 202 CG2 ILE  67 39.613 37.990  −0.826 1.00 32.44 ATOM 203 C ILE  67 37.008 39.373  −0.395 1.00 29.75 ATOM 204 O ILE  67 36.863 40.562  −0.776 1.00 30.09 ATOM 205 N TYR  68 36.954 38.994    0.884 1.00 29.10 ATOM 206 CA TYR  68 36.922 39.960    1.980 1.00 29.33 ATOM 207 CB TYR  68 35.749 39.680    2.920 1.00 29.75 ATOM 208 CG TYR  68 34.416 39.729    2.230 1.00 29.38 ATOM 209 CD1 TYR  68 33.794 38.563    1.815 1.00 32.55 ATOM 210 CE1 TYR  68 32.568 38.584    1.134 1.00 32.20 ATOM 211 CZ TYR  68 31.963 39.819    0.883 1.00 33.29 ATOM 212 OH TYR  68 30.740 39.851    0.231 1.00 32.89 ATOM 213 CE2 TYR  68 32.572 41.015    1.294 1.00 29.83 ATOM 214 CD2 TYR  68 33.783 40.965    1.962 1.00 31.54 ATOM 215 C TYR  68 38.279 39.917    2.710 1.00 29.45 ATOM 216 O TYR  68 38.779 38.853    3.103 1.00 29.05 ATOM 217 N ILE  69 38.888 41.080    2.851 1.00 28.99 ATOM 218 CA ILE  69 40.189 41.133    3.443 1.00 29.76 ATOM 219 CB ILE  69 41.245 41.549    2.415 1.00 29.75 ATOM 220 CG1 ILE  69 41.287 40.534    1.260 1.00 27.97 ATOM 221 CD1 ILE  69 42.318 40.945    0.271 1.00 26.18 ATOM 222 CG2 ILE  69 42.625 41.704    3.093 1.00 32.22 ATOM 223 C ILE  69 40.152 42.132    4.557 1.00 29.86 ATOM 224 O ILE  69 39.881 43.304    4.314 1.00 29.65 ATOM 225 N SER  70 40.408 41.651    5.779 1.00 30.45 ATOM 226 CA SER  70 40.36 42.506    6.981 1.00 30.03 ATOM 227 CB SER  70 39.223 42.035    7.869 1.00 29.17 ATOM 228 OG SER  70 38.002 42.191    7.194 1.00 30.13 ATOM 229 C SER  70 41.687 42.374    7.736 1.00 30.78 ATOM 230 O SER  70 42.155 41.252    7.957 1.00 30.80 ATOM 231 N TYR  71 42.292 43.494    8.126 1.00 30.28 ATOM 232 CA TYR  71 43.549 43.418    8.832 1.00 30.62 ATOM 233 CB TYR  71 44.775 43.454    7.870 1.00 31.06 ATOM 234 CG TYR  71 45.145 44.802    7.314 1.00 30.65 ATOM 235 CD1 TYR  71 44.427 45.375    6.252 1.00 32.95 ATOM 236 CE1 TYR  71 44.774 46.635    5.729 1.00 35.56 ATOM 237 CZ TYR  71 45.853 47.307    6.284 1.00 35.18 ATOM 238 OH TYR  71 46.233 48.540    5.823 1.00 33.86 ATOM 239 CE2 TYR  71 46.553 46.731    7.335 1.00 32.70 ATOM 240 CD2 TYR  71 46.208 45.482    7.808 1.00 30.48 ATOM 241 C TYR  71 43.613 44.505    9.873 1.00 30.68 ATOM 242 O TYR  71 42.887 45.490    9.763 1.00 30.21 ATOM 243 N ILE  72 44.427 44.279   10.915 1.00 30.50 ATOM 244 CA ILE  72 44.801 45.325   11.855 1.00 30.24 ATOM 245 CB ILE  72 44.723 44.843   13.328 1.00 30.88 ATOM 246 CG1 ILE  72 43.293 44.331   13.636 1.00 28.07 ATOM 247 CD1 ILE  72 42.932 44.254   15.117 1.00 28.12 ATOM 248 CG2 ILE  72 45.196 45.956   14.298 1.00 29.52 ATOM 249 C ILE  72 46.233 45.708   11.494 1.00 30.72 ATOM 250 O ILE  72 47.132 44.880   11.577 1.00 32.13 ATOM 251 N PRO  73 46.464 46.964   11.090 1.00 30.34 ATOM 252 CA PRO  73 47.842 47.268   10.709 1.00 31.27 ATOM 253 CB PRO  73 47.707 48.597    9.924 1.00 29.95 ATOM 254 CG PRO  73 46.473 49.180   10.372 1.00 27.98 ATOM 255 CD PRO  73 45.602 48.157   11.030 1.00 29.81 ATOM 256 C PRO  73 48.792 47.482   11.927 1.00 32.40 ATOM 257 O PRO  73 48.349 47.835   13.032 1.00 31.23 ATOM 258 N ASP  74 50.086 47.273   11.690 1.00 34.03 ATOM 259 CA ASP  74 51.109 47.851   12.532 1.00 34.96 ATOM 260 CB ASP  74 52.170 46.810   12.922 1.00 35.72 ATOM 261 CG ASP  74 53.290 47.405   13.800 1.00 38.15 ATOM 262 OD1 ASP  74 52.988 48.164   14.733 1.00 42.19 ATOM 263 OD2 ASP  74 54.481 47.136   13.535 1.00 42.50 ATOM 264 C ASP  74 51.669 49.122   11.858 1.00 35.88 ATOM 265 O ASP  74 51.013 50.184   11.894 1.00 34.85 ATOM 266 N GLU  75 52.838 49.049   11.212 1.00 37.87 ATOM 267 CA GLU  75 53.413 50.273   10.612 1.00 39.81 ATOM 268 CB GLU  75 54.939 50.327   10.807 1.00 41.03 ATOM 269 CG GLU  75 55.315 50.889   12.188 1.00 46.36 ATOM 270 CD GLU  75 56.239 52.123   12.120 1.00 56.87 ATOM 271 OE1 GLU  75 57.455 51.895   11.893 1.00 62.19 ATOM 272 OE2 GLU  75 55.766 53.305   12.307 1.00 57.56 ATOM 273 C GLU  75 52.994 50.577    9.159 1.00 39.88 ATOM 274 O GLU  75 52.903 51.736    8.759 1.00 40.11 ATOM 275 N LYS  76 52.699 49.531    8.402 1.00 39.86 ATOM 276 CA LYS  76 52.432 49.634    6.976 1.00 40.44 ATOM 277 CB LYS  76 53.398 48.679    6.234 1.00 40.71 ATOM 278 CG LYS  76 54.876 49.164    6.254 1.00 41.97 ATOM 279 CD LYS  76 55.838 48.116    5.709 1.00 42.76 ATOM 280 CE LYS  76 57.257 48.735    5.566 1.00 46.94 ATOM 281 NZ LYS  76 58.113 48.079    4.471 1.00 47.84 ATOM 282 C LYS  76 50.951 49.336    6.618 1.00 39.57 ATOM 283 O LYS  76 50.351 48.383    7.159 1.00 38.59 ATOM 284 N MET  77 50.387 50.161    5.733 1.00 38.91 ATOM 285 CA MET  77 49.063 49.946    5.129 1.00 39.54 ATOM 286 CB MET  77 48.227 51.199    5.269 1.00 40.38 ATOM 287 CG MET  77 48.552 51.943    6.526 1.00 42.11 ATOM 288 SD MET  77 47.288 51.638    7.701 1.00 47.32 ATOM 289 CE MET  77 46.598 53.275    7.750 1.00 44.61 ATOM 290 C MET  77 49.190 49.618    3.639 1.00 39.84 ATOM 291 O MET  77 49.984 50.241    2.943 1.00 40.60 ATOM 292 N VAL  78 48.428 48.637    3.152 1.00 38.72 ATOM 293 CA VAL  78 48.361 48.355    1.729 1.00 37.72 ATOM 294 CB VAL  78 47.851 46.932    1.471 1.00 38.33 ATOM 295 CG1 VAL  78 46.438 46.736    1.960 1.00 34.37 ATOM 296 CG2 VAL  78 47.958 46.583  −0.009 1.00 38.72 ATOM 297 C VAL  78 47.530 49.462    0.992 1.00 37.83 ATOM 298 O VAL  78 46.455 49.881    1.450 1.00 37.49 ATOM 299 N GLU  79 48.094 49.992  −0.086 1.00 37.59 ATOM 300 CA GLU  79 47.451 51.030  −0.918 1.00 38.47 ATOM 301 CB GLU  79 48.563 51.788  −1.681 1.00 39.42 ATOM 302 CG GLU  79 48.125 53.075  −2.306 1.00 42.55 ATOM 303 CD GLU  79 47.283 52.824  −3.569 1.00 45.29 ATOM 304 OE1 GLU  79 47.644 51.874  −4.300 1.00 48.69 ATOM 305 OE2 GLU  79 46.284 53.558  −3.816 1.00 40.76 ATOM 306 C GLU  79 46.496 50.288  −1.873 1.00 38.04 ATOM 307 O GLU  79 46.860 49.225  −2.414 1.00 37.98 ATOM 308 N SER  80 45.261 50.777  −2.012 1.00 37.39 ATOM 309 CA SER  80 44.217 49.966  −2.633 1.00 37.75 ATOM 310 CB SER  80 42.824 50.412  −2.252 1.00 37.68 ATOM 311 OG SER  80 42.694 51.786  −2.484 1.00 40.99 ATOM 312 C SER  80 44.338 49.792  −4.149 1.00 38.14 ATOM 313 O SER  80 44.134 48.657  −4.682 1.00 38.41 ATOM 314 N LYS  81 44.713 50.859  −4.844 1.00 38.05 ATOM 315 CA LYS  81 45.170 50.677  −6.249 1.00 38.29 ATOM 316 CB LYS  81 45.701 51.970  −6.862 1.00 38.47 ATOM 317 CG LYS  81 45.713 51.882  −8.388 1.00 43.77 ATOM 318 CD LYS  81 45.607 53.265  −9.061 1.00 49.29 ATOM 319 CE LYS  81 46.989 53.855  −9.329 1.00 54.55 ATOM 320 NZ LYS  81 46.926 54.856 −10.456 1.00 57.78 ATOM 321 C LYS  81 46.148 49.510  −6.468 1.00 36.81 ATOM 322 O LYS  81 45.898 48.646  −7.339 1.00 37.85 ATOM 323 N SER  82 47.223 49.434  −5.685 1.00 35.20 ATOM 324 CA SER  82 48.189 48.306  −5.802 1.00 33.64 ATOM 325 CB SER  82 49.344 48.504  −4.799 1.00 34.75 ATOM 326 OG SER  82 48.945 48.222  −3.463 1.00 33.65 ATOM 327 C SER  82 47.545 46.954  −5.577 1.00 32.78 ATOM 328 O SER  82 47.929 45.933  −6.160 1.00 33.37 ATOM 329 N LEU  83 46.541 46.952  −4.704 1.00 32.92 ATOM 330 CA LEU  83 45.820 45.744  −4.293 1.00 31.80 ATOM 331 CB LEU  83 44.960 46.018  −3.026 1.00 32.13 ATOM 332 CG LEU  83 44.142 44.762  −2.639 1.00 31.44 ATOM 333 CD1 LEU  83 45.104 43.535  −2.440 1.00 27.03 ATOM 334 CD2 LEU  83 43.250 44.984  −1.430 1.00 30.07 ATOM 335 C LEU  83 44.938 45.258  −5.447 1.00 31.38 ATOM 336 O LEU  83 44.917 44.047  −5.794 1.00 29.64 ATOM 337 N LYS  84 44.184 46.208  −5.987 1.00 32.24 ATOM 338 CA LYS  84 43.429 46.045  −7.269 1.00 34.04 ATOM 339 CB LYS  84 42.876 47.412  −7.724 1.00 33.44 ATOM 340 CG LYS  84 42.205 47.366  −9.097 1.00 35.85 ATOM 341 CD LYS  84 41.943 48.771  −9.662 1.00 35.52 ATOM 342 CE LYS  84 43.184 49.337 −10.340 1.00 38.91 ATOM 343 NZ LYS  84 42.937 50.682 −10.983 1.00 44.21 ATOM 344 C LYS  84 44.297 45.400  −8.362 1.00 33.50 ATOM 345 O LYS  84 43.944 44.342  −8.931 1.00 35.57 ATOM 346 N LEU  85 45.467 45.985  −8.600 1.00 33.06 ATOM 347 CA LEU  85 46.408 45.469  −9.610 1.00 33.43 ATOM 348 CB LEU  85 47.564 46.434  −9.762 1.00 32.74 ATOM 349 CG LEU  85 47.200 47.851 −10.221 1.00 36.78 ATOM 350 CD1 LEU  85 48.510 48.740 −10.365 1.00 37.48 ATOM 351 CD2 LEU  85 46.485 47.778 −11.561 1.00 38.46 ATOM 352 C LEU  85 46.909 44.105  −9.187 1.00 33.59 ATOM 353 O LEU  85 47.030 43.181  −9.976 1.00 33.78 ATOM 354 N TYR  86 47.188 43.969  −7.901 1.00 33.33 ATOM 355 CA TYR  86 47.644 42.673  −7.427 1.00 32.84 ATOM 356 CB TYR  86 48.059 42.760  −5.941 1.00 32.11 ATOM 357 CG TYR  86 48.309 41.413  −5.307 1.00 31.82 ATOM 358 CD1 TYR  86 49.426 40.641  −5.667 1.00 28.59 ATOM 359 CE1 TYR  86 49.653 39.402  −5.081 1.00 32.86 ATOM 360 CZ TYR  86 48.743 38.917  −4.119 1.00 31.37 ATOM 361 OH TYR  86 48.919 37.697  −3.545 1.00 30.97 ATOM 362 CE2 TYR  86 47.642 39.664  −3.744 1.00 31.22 ATOM 363 CD2 TYR  86 47.420 40.904  −4.336 1.00 31.02 ATOM 364 C TYR  86 46.587 41.608  −7.700 1.00 31.81 ATOM 365 O TYR  86 46.886 40.527  −8.229 1.00 31.35 ATOM 366 N LEU 111 54.113 41.836    2.769 1.00 43.58 ATOM 367 CA LEU 111 54.071 43.276    2.434 1.00 43.00 ATOM 368 CB LEU 111 52.858 43.625    1.544 1.00 43.28 ATOM 369 CG LEU 111 52.691 45.130    1.294 1.00 42.64 ATOM 370 CD1 LEU 111 53.761 45.690    0.369 1.00 42.17 ATOM 371 CD2 LEU 111 51.317 45.494    0.772 1.00 42.29 ATOM 372 C LEU 111 54.017 44.196    3.634 1.00 43.22 ATOM 373 O LEU 111 54.622 45.256    3.629 1.00 42.68 ATOM 374 N MET 112 53.223 43.821    4.637 1.00 43.26 ATOM 375 CA MET 112 52.789 44.785    5.652 1.00 42.80 ATOM 376 CB MET 112 51.264 44.808    5.725 1.00 42.78 ATOM 377 CG MET 112 50.541 45.465    4.554 1.00 43.72 ATOM 378 SD MET 112 48.784 45.254    4.869 1.00 44.73 ATOM 379 CE MET 112 48.601 46.880    5.462 1.00 41.27 ATOM 380 C MET 112 53.285 44.544    7.058 1.00 42.07 ATOM 381 O MET 112 53.305 45.487    7.868 1.00 41.71 ATOM 382 N ASP 113 53.594 43.285    7.370 1.00 41.30 ATOM 383 CA ASP 113 53.843 42.864    8.771 1.00 40.65 ATOM 384 CB ASP 113 55.168 43.478    9.282 1.00 41.44 ATOM 385 CG ASP 113 55.944 42.558   10.253 1.00 46.21 ATOM 386 OD1 ASP 113 57.182 42.801   10.359 1.00 50.69 ATOM 387 OD2 ASP 113 55.358 41.618   10.891 1.00 46.74 ATOM 388 C ASP 113 52.666 43.322    9.673 1.00 37.65 ATOM 389 O ASP 113 52.869 44.128   10.616 1.00 36.01 ATOM 390 N PRO 114 51.423 42.828    9.379 1.00 35.49 ATOM 391 CA PRO 114 50.279 43.411   10.115 1.00 33.37 ATOM 392 CB PRO 114 49.089 42.995    9.272 1.00 33.16 ATOM 393 CG PRO 114 49.540 41.620    8.715 1.00 33.41 ATOM 394 CD PRO 114 51.008 41.749    8.463 1.00 34.28 ATOM 395 C PRO 114 50.167 42.805   11.510 1.00 31.89 ATOM 396 O PRO 114 50.801 41.778   11.763 1.00 30.70 ATOM 397 N ARG 115 49.317 43.355   12.391 1.00 30.43 ATOM 398 CA ARG 115 49.122 42.666   13.688 1.00 28.80 ATOM 399 CB ARG 115 48.524 43.607   14.696 1.00 27.24 ATOM 400 CG ARG 115 49.480 44.797   14.854 1.00 28.13 ATOM 401 CD ARG 115 49.021 45.829   15.821 1.00 30.24 ATOM 402 NE ARG 115 49.994 46.913   15.837 1.00 31.62 ATOM 403 CZ ARG 115 49.711 48.175   16.086 1.00 33.29 ATOM 404 NH1 ARG 115 48.461 48.531   16.364 1.00 33.08 ATOM 405 NH2 ARG 115 50.682 49.072   16.033 1.00 32.97 ATOM 406 C ARG 115 48.286 41.422   13.479 1.00 29.25 ATOM 407 O ARG 115 48.535 40.356   14.063 1.00 28.81 ATOM 408 N TYR 116 47.261 41.579   12.632 1.00 28.80 ATOM 409 CA TYR 116 46.279 40.564   12.365 1.00 27.69 ATOM 410 CB TYR 116 45.077 40.781   13.272 1.00 27.92 ATOM 411 CG TYR 116 43.940 39.808   12.956 1.00 26.63 ATOM 412 CD1 TYR 116 44.018 38.483   13.349 1.00 26.72 ATOM 413 CE1 TYR 116 43.057 37.585   13.021 1.00 25.07 ATOM 414 CZ TYR 116 41.991 38.002   12.258 1.00 27.65 ATOM 415 OH TYR 116 41.005 37.103   11.955 1.00 30.89 ATOM 416 CE2 TYR 116 41.884 39.315   11.852 1.00 26.17 ATOM 417 CD2 TYR 116 42.860 40.195   12.171 1.00 26.32 ATOM 418 C TYR 116 45.836 40.759   10.910 1.00 28.81 ATOM 419 O TYR 116 45.688 41.914   10.448 1.00 28.65 ATOM 420 N ILE 117 45.556 39.657   10.218 1.00 28.31 ATOM 421 CA ILE 117 44.857 39.710    8.943 1.00 28.27 ATOM 422 CB ILE 117 45.844 40.005    7.796 1.00 29.22 ATOM 423 CG1 ILE 117 45.158 40.028    6.410 1.00 27.24 ATOM 424 CD1 ILE 117 46.196 40.353    5.327 1.00 27.68 ATOM 425 CG2 ILE 117 47.049 39.010    7.845 1.00 27.47 ATOM 426 C ILE 117 44.092 38.433    8.690 1.00 28.02 ATOM 427 O ILE 117 44.490 37.377    9.151 1.00 27.51 ATOM 428 N GLU 118 42.965 38.543    7.989 1.00 27.06 ATOM 429 CA GLU 118 42.201 37.395    7.553 1.00 27.80 ATOM 430 CB GLU 118 40.984 37.159    8.436 1.00 27.26 ATOM 431 CG GLU 118 39.996 38.325    8.524 1.00 25.50 ATOM 432 CD GLU 118 38.796 38.015    9.431 1.00 30.75 ATOM 433 OE1 GLU 118 38.938 37.361   10.503 1.00 35.47 ATOM 434 OE2 GLU 118 37.676 38.411    9.076 1.00 34.71 ATOM 435 C GLU 118 41.752 37.632    6.100 1.00 28.42 ATOM 436 O GLU 118 41.593 38.755    5.666 1.00 28.14 ATOM 437 N VAL 119 41.540 36.550    5.373 1.00 28.92 ATOM 438 CA VAL 119 41.110 36.581    3.987 1.00 28.21 ATOM 439 CB VAL 119 42.310 36.233    3.005 1.00 29.07 ATOM 440 CG1 VAL 119 41.841 36.310    1.510 1.00 28.56 ATOM 441 CG2 VAL 119 43.463 37.228    3.208 1.00 27.52 ATOM 442 C VAL 119 40.054 35.513    3.894 1.00 27.80 ATOM 443 O VAL 119 40.354 34.336    4.158 1.00 27.72 ATOM 444 O6 GDQ 201 41.711 55.587    1.265 1.00 47.86 ATOM 445 C6 GDQ 201 42.655 54.798    0.686 1.00 49.13 ATOM 446 N1 GDQ 201 43.162 53.755    1.386 1.00 48.48 ATOM 447 C5 GDQ 201 43.114 55.030  −0.629 1.00 50.29 ATOM 448 C7 GDQ 201 42.895 55.934  −1.676 1.00 49.19 ATOM 449 C77 GDQ 201 42.018 56.941  −1.586 1.00 49.79 ATOM 450 N77 GDQ 201 41.272 57.892  −1.409 1.00 52.99 ATOM 451 C8 GDQ 201 43.665 55.676  −2.796 1.00 48.54 ATOM 452 N9 GDQ 201 44.390 54.565  −2.444 1.00 49.38 ATOM 453 C4 GDQ 201 44.083 54.188  −1.156 1.00 49.87 ATOM 454 N3 GDQ 201 44.571 53.140  −0.425 1.00 49.70 ATOM 455 C2 GDQ 201 44.090 52.944    0.845 1.00 48.62 ATOM 456 N2 GDQ 201 44.543 51.925    1.604 1.00 49.10 ATOM 457 N PHE  47 24.748 57.709   15.494 1.00 42.64 ATOM 458 CA PHE  47 24.653 58.672   14.418 1.00 44.82 ATOM 459 CB PHE  47 25.629 59.823   14.648 1.00 46.09 ATOM 460 CG PHE  47 25.432 60.987   13.713 1.00 49.93 ATOM 461 CD1 PHE  47 26.233 61.127   12.566 1.00 53.12 ATOM 462 CE1 PHE  47 26.050 62.220   11.663 1.00 52.76 ATOM 463 CZ PHE  47 25.072 63.167   11.905 1.00 51.25 ATOM 464 CE2 PHE  47 24.250 63.045   13.045 1.00 53.53 ATOM 465 CD2 PHE  47 24.440 61.954   13.959 1.00 52.47 ATOM 466 C PHE  47 24.971 57.931   13.129 1.00 45.33 ATOM 467 O PHE  47 25.880 57.111   13.093 1.00 45.63 ATOM 468 N ASN  48 24.171 58.162   12.092 1.00 46.34 ATOM 469 CA ASN  48 24.371 57.567   10.762 1.00 47.16 ATOM 470 CB ASN  48 23.110 56.730   10.478 1.00 48.74 ATOM 471 CG ASN  48 23.006 56.191    9.044 1.00 55.54 ATOM 472 OD1 ASN  48 23.561 56.742    8.070 1.00 62.83 ATOM 473 ND2 ASN  48 22.236 55.102    8.904 1.00 60.32 ATOM 474 C ASN  48 24.556 58.753    9.804 1.00 46.29 ATOM 475 O ASN  48 23.686 59.619    9.735 1.00 45.40 ATOM 476 N CYS  49 25.707 58.845    9.129 1.00 45.76 ATOM 477 CA CYS  49 25.872 59.817    8.052 1.00 44.56 ATOM 478 CB CYS  49 27.024 60.819    8.285 1.00 45.57 ATOM 479 SG CYS  49 27.070 62.196    6.974 1.00 49.46 ATOM 480 C CYS  49 26.048 59.202    6.668 1.00 43.45 ATOM 481 O CYS  49 27.163 58.857    6.274 1.00 43.60 ATOM 482 N PRO  50 24.963 59.146    5.882 1.00 42.35 ATOM 483 CA PRO  50 25.097 58.598    4.533 1.00 41.90 ATOM 484 CB PRO  50 23.664 58.171    4.210 1.00 41.25 ATOM 485 CG PRO  50 22.830 59.231    4.910 1.00 41.28 ATOM 486 CD PRO  50 23.586 59.594    6.169 1.00 41.52 ATOM 487 C PRO  50 25.651 59.620    3.490 1.00 41.74 ATOM 488 O PRO  50 25.928 59.256    2.361 1.00 42.38 ATOM 489 N GLU  51 25.825 60.874    3.872 1.00 41.81 ATOM 490 CA GLU  51 26.254 61.920    2.924 1.00 43.19 ATOM 491 CB GLU  51 25.401 63.179    3.143 1.00 42.86 ATOM 492 CG GLU  51 23.920 62.947    2.943 1.00 46.45 ATOM 493 CD GLU  51 23.044 64.162    3.342 1.00 49.54 ATOM 494 OE1 GLU  51 23.559 65.321    3.470 1.00 57.83 ATOM 495 OE2 GLU  51 21.813 63.965    3.523 1.00 55.89 ATOM 496 C GLU  51 27.736 62.298    3.017 1.00 40.52 ATOM 497 O GLU  51 28.123 63.433    2.672 1.00 40.28 ATOM 498 N PHE  52 28.587 61.364    3.463 1.00 37.78 ATOM 499 CA PHE  52 29.963 61.756    3.731 1.00 34.29 ATOM 500 CB PHE  52 30.692 60.800    4.699 1.00 32.48 ATOM 501 CG PHE  52 32.101 61.217    4.973 1.00 31.39 ATOM 502 CD1 PHE  52 32.382 62.243    5.899 1.00 27.24 ATOM 503 CE1 PHE  52 33.713 62.616    6.147 1.00 28.62 ATOM 504 CZ PHE  52 34.756 62.011    5.478 1.00 28.64 ATOM 505 CE2 PHE  52 34.497 61.009    4.556 1.00 30.54 ATOM 506 CD2 PHE  52 33.163 60.621    4.291 1.00 29.35 ATOM 507 C PHE  52 30.718 61.798    2.456 1.00 33.27 ATOM 508 O PHE  52 30.651 60.834    1.701 1.00 33.06 ATOM 509 N THR  53 31.504 62.855    2.236 1.00 32.76 ATOM 510 CA THR  53 32.458 62.849    1.081 1.00 32.32 ATOM 511 CB THR  53 31.821 63.443  −0.290 1.00 31.64 ATOM 512 OG1 THR  53 32.789 63.360  −1.338 1.00 27.58 ATOM 513 CG2 THR  53 31.444 64.894  −0.121 1.00 28.54 ATOM 514 C THR  53 33.731 63.608    1.368 1.00 32.59 ATOM 515 O THR  53 33.683 64.620    2.017 1.00 33.75 ATOM 516 N SER  54 34.843 63.144    0.838 1.00 33.72 ATOM 517 CA SER  54 36.103 63.901    0.919 1.00 35.85 ATOM 518 CB SER  54 36.819 63.538    2.216 1.00 35.22 ATOM 519 OG SER  54 37.442 62.291    2.057 1.00 33.77 ATOM 520 C SER  54 37.053 63.654  −0.273 1.00 37.39 ATOM 521 O SER  54 36.669 63.061  −1.267 1.00 37.18 ATOM 522 N LEU  55 38.306 64.067  −0.153 1.00 40.28 ATOM 523 CA LEU  55 39.246 63.973  −1.271 1.00 43.35 ATOM 524 CB LEU  55 39.790 65.389  −1.639 1.00 42.47 ATOM 525 CG LEU  55 38.779 66.527  −1.992 1.00 40.35 ATOM 526 CD1 LEU  55 39.432 67.854  −2.503 1.00 33.89 ATOM 527 CD2 LEU  55 37.749 66.059  −3.012 1.00 37.65 ATOM 528 C LEU  55 40.387 62.949  −1.077 1.00 46.35 ATOM 529 O LEU  55 41.053 62.952  −0.047 1.00 47.81 ATOM 530 N CYS  56 40.606 62.082  −2.065 1.00 49.44 ATOM 531 CA CYS  56 41.812 61.255  −2.156 1.00 51.70 ATOM 532 CB CYS  56 41.761 60.468  −3.456 1.00 52.04 ATOM 533 SG CYS  56 43.273 59.627  −3.936 1.00 52.43 ATOM 534 C CYS  56 43.076 62.138  −2.109 1.00 53.76 ATOM 535 O CYS  56 43.222 63.072  −2.912 1.00 54.33 ATOM 536 N PRO  57 44.007 61.871  −1.168 1.00 55.15 ATOM 537 CA PRO  57 44.991 62.955  −0.924 1.00 56.01 ATOM 538 CB PRO  57 45.697 62.527    0.380 1.00 55.67 ATOM 539 CG PRO  57 45.586 61.045    0.398 1.00 55.68 ATOM 540 CD PRO  57 44.282 60.674  −0.351 1.00 55.25 ATOM 541 C PRO  57 45.996 63.136  −2.078 1.00 56.80 ATOM 542 O PRO  57 46.605 64.202  −2.208 1.00 56.61 ATOM 543 N LYS  58 46.140 62.106  −2.907 1.00 57.84 ATOM 544 CA LYS  58 47.090 62.142  −4.001 1.00 59.47 ATOM 545 CB LYS  58 47.617 60.736  −4.319 1.00 60.28 ATOM 546 CG LYS  58 48.963 60.394  −3.612 1.00 63.29 ATOM 547 CD LYS  58 48.838 60.317  −2.055 1.00 64.69 ATOM 548 CE LYS  58 50.195 60.109  −1.350 1.00 64.11 ATOM 549 NZ LYS  58 51.077 59.195  −2.131 1.00 64.02 ATOM 550 C LYS  58 46.506 62.806  −5.243 1.00 59.38 ATOM 551 O LYS  58 47.079 63.771  −5.788 1.00 59.15 ATOM 552 N VAL  59 45.350 62.315  −5.677 1.00 59.37 ATOM 553 CA VAL  59 44.815 62.758  −6.958 1.00 58.99 ATOM 554 CB VAL  59 44.311 61.581  −7.754 1.00 59.24 ATOM 555 CG1 VAL  59 43.119 60.971  −7.073 1.00 58.19 ATOM 556 CG2 VAL  59 44.010 62.018  −9.217 1.00 62.18 ATOM 557 C VAL  59 43.745 63.844  −6.834 1.00 57.82 ATOM 558 O VAL  59 43.519 64.603  −7.770 1.00 57.80 ATOM 559 N GLY  60 43.106 63.927  −5.675 1.00 56.74 ATOM 560 CA GLY  60 42.031 64.898  −5.462 1.00 55.41 ATOM 561 C GLY  60 40.695 64.428  −6.022 1.00 54.46 ATOM 562 O GLY  60 39.750 65.213  −6.072 1.00 54.71 ATOM 563 N GLN  61 40.649 63.170  −6.481 1.00 53.28 ATOM 564 CA GLN  61 39.426 62.434  −6.817 1.00 52.84 ATOM 565 CB GLN  61 39.795 61.008  −7.308 1.00 53.00 ATOM 566 CG GLN  61 39.637 59.850  −6.212 1.00 56.57 ATOM 567 CD GLN  61 40.586 58.590  −6.338 1.00 57.11 ATOM 568 OE1 GLN  61 40.212 57.469  −5.921 1.00 59.50 ATOM 569 NE2 GLN  61 41.813 58.788  −6.871 1.00 60.79 ATOM 570 C GLN  61 38.591 62.342  −5.533 1.00 49.52 ATOM 571 O GLN  61 39.126 62.015  −4.516 1.00 50.07 ATOM 572 N PRO  62 37.300 62.689  −5.567 1.00 47.30 ATOM 573 CA PRO  62 36.410 62.522  −4.419 1.00 44.65 ATOM 574 CB PRO  62 35.121 63.205  −4.868 1.00 44.86 ATOM 575 CG PRO  62 35.494 64.078  −6.008 1.00 46.60 ATOM 576 CD PRO  62 36.602 63.328  −6.703 1.00 47.39 ATOM 577 C PRO  62 36.084 61.075  −4.034 1.00 43.08 ATOM 578 O PRO  62 36.215 60.142  −4.836 1.00 42.60 ATOM 579 N ASP  63 35.676 60.898  −2.781 1.00 40.37 ATOM 580 CA ASP  63 35.348 59.576  −2.252 1.00 38.69 ATOM 581 CB ASP  63 36.469 59.026  −1.373 1.00 39.74 ATOM 582 CG ASP  63 37.806 58.839  −2.153 1.00 47.72 ATOM 583 OD1 ASP  63 37.762 58.395  −3.365 1.00 52.82 ATOM 584 OD2 ASP  63 38.894 59.139  −1.526 1.00 51.42 ATOM 585 C ASP  63 34.080 59.752  −1.452 1.00 34.25 ATOM 586 O ASP  63 33.769 60.855  −1.088 1.00 33.24 ATOM 587 N PHE  64 33.334 58.678  −1.243 1.00 31.02 ATOM 588 CA PHE  64 32.000 58.795  −0.653 1.00 29.15 ATOM 589 CB PHE  64 30.906 58.806  −1.736 1.00 27.83 ATOM 590 CG PHE  64 31.077 59.940  −2.741 1.00 28.44 ATOM 591 CD1 PHE  64 32.039 59.845  −3.745 1.00 26.72 ATOM 592 CE1 PHE  64 32.245 60.891  −4.639 1.00 30.21 ATOM 593 CZ PHE  64 31.471 62.047  −4.542 1.00 30.36 ATOM 594 CE2 PHE  64 30.484 62.150  −3.555 1.00 29.14 ATOM 595 CD2 PHE  64 30.293 61.092  −2.661 1.00 27.23 ATOM 596 C PHE  64 31.819 57.655    0.320 1.00 28.21 ATOM 597 O PHE  64 32.354 56.597    0.092 1.00 27.97 ATOM 598 N ALA  65 31.033 57.865    1.368 1.00 28.63 ATOM 599 CA ALA  65 30.889 56.873    2.444 1.00 28.95 ATOM 600 CB ALA  65 32.079 56.937    3.410 1.00 28.11 ATOM 601 C ALA  65 29.657 57.143    3.208 1.00 28.84 ATOM 602 O ALA  65 29.168 58.269    3.237 1.00 26.69 ATOM 603 N THR  66 29.151 56.085    3.827 1.00 30.26 ATOM 604 CA THR  66 28.236 56.164    4.966 1.00 31.54 ATOM 605 CB THR  66 27.240 54.998    4.911 1.00 31.74 ATOM 606 OG1 THR  66 26.496 55.042    3.671 1.00 35.61 ATOM 607 CG2 THR  66 26.210 55.073    6.044 1.00 34.49 ATOM 608 C THR  66 29.154 56.036    6.235 1.00 32.82 ATOM 609 O THR  66 30.132 55.231    6.263 1.00 33.44 ATOM 610 N ILE  67 28.864 56.814    7.275 1.00 32.52 ATOM 611 CA ILE  67 29.676 56.763    8.488 1.00 32.91 ATOM 612 CB ILE  67 30.507 58.066    8.712 1.00 33.60 ATOM 613 CG1 ILE  67 31.514 58.191    7.578 1.00 34.09 ATOM 614 CD1 ILE  67 32.413 59.380    7.667 1.00 36.00 ATOM 615 CG2 ILE  67 31.333 57.972   10.013 1.00 35.22 ATOM 616 C ILE  67 28.806 56.441    9.655 1.00 33.06 ATOM 617 O ILE  67 27.748 57.047    9.850 1.00 32.31 ATOM 618 N TYR  68 29.204 55.432   10.412 1.00 33.27 ATOM 619 CA TYR  68 28.418 55.086   11.589 1.00 34.99 ATOM 620 CB TYR  68 28.043 53.606   11.604 1.00 36.66 ATOM 621 CG TYR  68 27.316 53.169   10.342 1.00 41.76 ATOM 622 CD1 TYR  68 28.029 52.743    9.194 1.00 46.27 ATOM 623 CE1 TYR  68 27.353 52.355    8.032 1.00 46.31 ATOM 624 CZ TYR  68 25.936 52.385    8.019 1.00 45.46 ATOM 625 OH TYR  68 25.231 52.014    6.905 1.00 44.17 ATOM 626 CE2 TYR  68 25.218 52.793    9.120 1.00 46.56 ATOM 627 CD2 TYR  68 25.914 53.192   10.283 1.00 46.33 ATOM 628 C TYR  68 29.280 55.404   12.765 1.00 33.70 ATOM 629 O TYR  68 30.406 54.898   12.853 1.00 33.44 ATOM 630 N ILE  69 28.738 56.238   13.643 1.00 33.19 ATOM 631 CA ILE  69 29.353 56.678   14.901 1.00 33.81 ATOM 632 CB ILE  69 29.583 58.209   14.941 1.00 34.25 ATOM 633 CG1 ILE  69 30.455 58.642   13.761 1.00 32.07 ATOM 634 CD1 ILE  69 30.439 60.107   13.474 1.00 31.28 ATOM 635 CG2 ILE  69 30.238 58.642   16.268 1.00 33.83 ATOM 636 C ILE  69 28.434 56.295   16.043 1.00 34.48 ATOM 637 O ILE  69 27.244 56.641   16.026 1.00 34.60 ATOM 638 N SER  70 28.954 55.519   17.000 1.00 33.79 ATOM 639 CA SER  70 28.201 55.275   18.224 1.00 33.74 ATOM 640 CB SER  70 27.489 53.924   18.176 1.00 34.66 ATOM 641 OG SER  70 28.367 52.990   17.639 1.00 39.20 ATOM 642 C SER  70 29.097 55.360   19.442 1.00 32.64 ATOM 643 O SER  70 30.231 54.880   19.417 1.00 31.72 ATOM 644 N TYR  71 28.592 55.971   20.511 1.00 31.90 ATOM 645 CA TYR  71 29.448 56.246   21.637 1.00 31.51 ATOM 646 CB TYR  71 30.206 57.583   21.446 1.00 31.88 ATOM 647 CG TYR  71 29.319 58.800   21.586 1.00 33.11 ATOM 648 CD1 TYR  71 28.614 59.295   20.480 1.00 31.23 ATOM 649 CE1 TYR  71 27.783 60.403   20.588 1.00 33.23 ATOM 650 CZ TYR  71 27.624 61.035   21.803 1.00 35.49 ATOM 651 OH TYR  71 26.798 62.123   21.854 1.00 34.71 ATOM 652 CE2 TYR  71 28.309 60.568   22.971 1.00 34.63 ATOM 653 CD2 TYR  71 29.165 59.457   22.837 1.00 33.54 ATOM 654 C TYR  71 28.626 56.197   22.900 1.00 31.26 ATOM 655 O TYR  71 27.415 56.312   22.841 1.00 30.18 ATOM 656 N HIS  93 38.637 68.301    2.050 1.00 48.66 ATOM 657 CA HIS  93 39.824 67.843    2.777 1.00 49.97 ATOM 658 CB HIS  93 39.485 67.640    4.276 1.00 50.51 ATOM 659 CG HIS  93 40.639 67.158    5.110 1.00 55.87 ATOM 660 ND1 HIS  93 41.614 68.004    5.607 1.00 59.84 ATOM 661 CE1 HIS  93 42.499 67.299    6.297 1.00 60.29 ATOM 662 NE2 HIS  93 42.134 66.028    6.271 1.00 59.44 ATOM 663 CD2 HIS  93 40.977 65.911    5.535 1.00 58.67 ATOM 664 C HIS  93 40.375 66.561    2.159 1.00 49.75 ATOM 665 O HIS  93 39.633 65.590    2.013 1.00 50.39 ATOM 666 N GLY  94 41.671 66.559    1.827 1.00 49.84 ATOM 667 CA GLY  94 42.372 65.389    1.288 1.00 50.07 ATOM 668 C GLY  94 43.027 64.463    2.323 1.00 50.90 ATOM 669 O GLY  94 43.812 64.926    3.152 1.00 51.40 ATOM 670 N ASP  95 42.707 63.164    2.279 1.00 50.78 ATOM 671 CA ASP  95 43.227 62.155    3.230 1.00 51.06 ATOM 672 CB ASP  95 42.885 62.511    4.700 1.00 51.78 ATOM 673 CG ASP  95 44.115 63.025    5.487 1.00 54.65 ATOM 674 OD1 ASP  95 44.011 64.089    6.170 1.00 56.70 ATOM 675 OD2 ASP  95 45.198 62.381    5.384 1.00 56.05 ATOM 676 C ASP  95 42.732 60.736    2.927 1.00 50.22 ATOM 677 O ASP  95 41.741 60.554    2.228 1.00 50.07 ATOM 678 N PHE  96 43.423 59.729    3.460 1.00 49.00 ATOM 679 CA PHE  96 42.999 58.364    3.251 1.00 47.90 ATOM 680 CB PHE  96 44.164 57.392    3.404 1.00 49.17 ATOM 681 CG PHE  96 45.178 57.489    2.300 1.00 50.56 ATOM 682 CD1 PHE  96 46.518 57.697    2.586 1.00 54.11 ATOM 683 CE1 PHE  96 47.480 57.799    1.557 1.00 55.36 ATOM 684 CZ PHE  96 47.075 57.693    0.236 1.00 54.61 ATOM 685 CE2 PHE  96 45.738 57.495  −0.060 1.00 53.40 ATOM 686 CD2 PHE  96 44.794 57.395    0.972 1.00 52.58 ATOM 687 C PHE  96 41.826 58.027    4.157 1.00 46.75 ATOM 688 O PHE  96 41.531 58.753    5.124 1.00 45.40 ATOM 689 N HIS  97 41.124 56.951    3.795 1.00 46.15 ATOM 690 CA HIS  97 39.905 56.533    4.496 1.00 45.85 ATOM 691 CB HIS  97 39.187 55.396    3.755 1.00 45.95 ATOM 692 CG HIS  97 38.861 55.704    2.327 1.00 45.17 ATOM 693 ND1 HIS  97 38.854 56.989    1.819 1.00 46.08 ATOM 694 CE1 HIS  97 38.528 56.955    0.541 1.00 43.94 ATOM 695 NE2 HIS  97 38.306 55.698    0.201 1.00 46.28 ATOM 696 CD2 HIS  97 38.497 54.896    1.304 1.00 45.40 ATOM 697 C HIS  97 40.198 56.085    5.924 1.00 45.79 ATOM 698 O HIS  97 39.432 56.374    6.812 1.00 46.05 ATOM 699 N GLU  98 41.313 55.400    6.129 1.00 45.84 ATOM 700 CA GLU  98 41.702 54.909    7.448 1.00 46.85 ATOM 701 CB GLU  98 42.908 54.003    7.297 1.00 46.16 ATOM 702 CG GLU  98 42.687 52.810    6.377 1.00 46.72 ATOM 703 CD GLU  98 42.950 53.077    4.891 1.00 45.68 ATOM 704 OE1 GLU  98 42.561 54.175    4.377 1.00 44.22 ATOM 705 OE2 GLU  98 43.524 52.151    4.256 1.00 40.33 ATOM 706 C GLU  98 42.069 56.101    8.323 1.00 47.68 ATOM 707 O GLU  98 41.618 56.243    9.478 1.00 47.98 ATOM 708 N ASP  99 42.891 56.964    7.748 1.00 48.09 ATOM 709 CA ASP  99 43.208 58.224    8.363 1.00 48.47 ATOM 710 CB ASP  99 44.178 59.046    7.488 1.00 49.11 ATOM 711 CG ASP  99 44.874 60.185    8.273 1.00 55.52 ATOM 712 OD1 ASP  99 44.566 60.404    9.485 1.00 60.51 ATOM 713 OD2 ASP  99 45.748 60.885    7.685 1.00 60.85 ATOM 714 C ASP  99 41.922 58.988    8.722 1.00 46.99 ATOM 715 O ASP  99 41.797 59.405    9.860 1.00 47.32 ATOM 716 N CYS 100 40.960 59.129    7.803 1.00 44.86 ATOM 717 CA CYS 100 39.746 59.918    8.086 1.00 44.11 ATOM 718 CB CYS 100 38.809 60.040    6.866 1.00 44.17 ATOM 719 SG CYS 100 39.316 61.424    5.836 1.00 55.29 ATOM 720 C CYS 100 38.946 59.420    9.247 1.00 41.17 ATOM 721 O CYS 100 38.460 60.206   10.052 1.00 41.05 ATOM 722 N MET 101 38.760 58.111    9.310 1.00 39.33 ATOM 723 CA MET 101 38.001 57.544   10.411 1.00 37.87 ATOM 724 CB MET 101 37.721 56.038   10.218 1.00 36.00 ATOM 725 CG MET 101 36.908 55.706    8.921 1.00 36.42 ATOM 726 SD MET 101 35.623 56.867    8.440 1.00 36.92 ATOM 727 CE MET 101 34.366 56.319    9.474 1.00 39.82 ATOM 728 C MET 101 38.736 57.867   11.730 1.00 36.66 ATOM 729 O MET 101 38.108 58.305   12.673 1.00 36.54 ATOM 730 N ASN 102 40.056 57.707   11.762 1.00 35.47 ATOM 731 CA ASN 102 40.785 58.039   12.977 1.00 36.04 ATOM 732 CB ASN 102 42.203 57.511   12.894 1.00 36.07 ATOM 733 CG ASN 102 42.252 56.042   13.146 1.00 35.53 ATOM 734 OD1 ASN 102 41.887 55.613   14.217 1.00 40.24 ATOM 735 ND2 ASN 102 42.662 55.255   12.167 1.00 35.01 ATOM 736 C ASN 102 40.698 59.504   13.418 1.00 35.78 ATOM 737 O ASN 102 40.497 59.773   14.618 1.00 36.97 ATOM 738 N ILE 103 40.749 60.425   12.452 1.00 34.63 ATOM 739 CA ILE 103 40.619 61.866   12.672 1.00 34.33 ATOM 740 CB ILE 103 40.897 62.641   11.349 1.00 35.07 ATOM 741 CG1 ILE 103 42.374 62.453   10.944 1.00 32.25 ATOM 742 CD1 ILE 103 42.710 63.027    9.533 1.00 35.97 ATOM 743 CG2 ILE 103 40.499 64.098   11.472 1.00 32.92 ATOM 744 C ILE 103 39.265 62.207   13.220 1.00 34.31 ATOM 745 O ILE 103 39.128 63.012   14.139 1.00 34.95 ATOM 746 N ILE 104 38.243 61.555   12.695 1.00 34.09 ATOM 747 CA ILE 104 36.907 61.829   13.170 1.00 33.06 ATOM 748 CB ILE 104 35.831 61.150   12.292 1.00 33.30 ATOM 749 CG1 ILE 104 35.743 61.847   10.915 1.00 34.67 ATOM 750 CD1 ILE 104 34.897 61.097    9.885 1.00 33.61 ATOM 751 CG2 ILE 104 34.493 61.226   12.955 1.00 31.83 ATOM 752 C ILE 104 36.829 61.318   14.600 1.00 32.13 ATOM 753 O ILE 104 36.400 62.006   15.482 1.00 31.46 ATOM 754 N MET 105 37.253 60.095   14.828 1.00 31.52 ATOM 755 CA MET 105 37.156 59.578   16.188 1.00 31.67 ATOM 756 CB MET 105 37.586 58.123   16.268 1.00 31.16 ATOM 757 CG MET 105 37.189 57.526   17.611 1.00 31.27 ATOM 758 SD MET 105 37.682 55.837   17.799 1.00 30.70 ATOM 759 CE MET 105 39.473 55.936   17.553 1.00 24.32 ATOM 760 C MET 105 37.940 60.424   17.222 1.00 31.82 ATOM 761 O MET 105 37.406 60.694   18.314 1.00 30.92 ATOM 762 N ASN 106 39.196 60.790   16.872 1.00 32.84 ATOM 763 CA ASN 106 40.025 61.689   17.697 1.00 33.67 ATOM 764 CB ASN 106 41.412 61.949   17.084 1.00 33.24 ATOM 765 CG ASN 106 42.306 60.712   17.136 1.00 36.96 ATOM 766 OD1 ASN 106 41.906 59.687   17.710 1.00 38.40 ATOM 767 ND2 ASN 106 43.526 60.787   16.532 1.00 40.29 ATOM 768 C ASN 106 39.318 62.990   18.053 1.00 33.97 ATOM 769 O ASN 106 39.201 63.296   19.238 1.00 34.30 ATOM 770 N ILE 117 33.681 55.021   22.281 1.00 29.68 ATOM 771 CA ILE 117 33.334 55.496   20.972 1.00 30.17 ATOM 772 CB ILE 117 33.905 56.953   20.694 1.00 29.97 ATOM 773 CG1 ILE 117 33.505 57.471   19.302 1.00 31.07 ATOM 774 CD1 ILE 117 33.251 58.987   19.226 1.00 28.47 ATOM 775 CG2 ILE 117 35.423 56.991   20.793 1.00 29.12 ATOM 776 C ILE 117 33.802 54.459   19.916 1.00 30.95 ATOM 777 O ILE 117 34.831 53.747   20.092 1.00 29.55 ATOM 778 N GLU 118 33.043 54.397   18.824 1.00 29.51 ATOM 779 CA GLU 118 33.464 53.697   17.613 1.00 30.75 ATOM 780 CB GLU 118 32.990 52.247   17.601 1.00 29.98 ATOM 781 CG GLU 118 31.517 52.084   17.770 1.00 30.81 ATOM 782 CD GLU 118 31.047 50.631   17.574 1.00 33.92 ATOM 783 OE1 GLU 118 31.625 49.667   18.153 1.00 34.31 ATOM 784 OE2 GLU 118 30.053 50.444   16.827 1.00 39.00 ATOM 785 C GLU 118 32.992 54.437   16.351 1.00 30.00 ATOM 786 O GLU 118 31.936 55.054   16.328 1.00 28.90 ATOM 787 N VAL 119 33.834 54.395   15.332 1.00 30.46 ATOM 788 CA VAL 119 33.555 54.982   14.045 1.00 29.62 ATOM 789 CB VAL 119 34.457 56.239   13.763 1.00 29.45 ATOM 790 CG1 VAL 119 34.137 56.899   12.382 1.00 25.54 ATOM 791 CG2 VAL 119 34.243 57.222   14.847 1.00 26.50 ATOM 792 C VAL 119 33.768 53.875   13.032 1.00 30.31 ATOM 793 O VAL 119 34.858 53.267   12.966 1.00 30.28 ATOM 794 N TRP 120 32.695 53.599   12.277 1.00 30.34 ATOM 795 CA TRP 120 32.689 52.632   11.202 1.00 29.58 ATOM 796 CB TRP 120 31.670 51.573   11.497 1.00 29.57 ATOM 797 CG TRP 120 31.910 50.327   10.693 1.00 29.15 ATOM 798 CD1 TRP 120 32.764 50.186    9.645 1.00 30.14 ATOM 799 NE1 TRP 120 32.748 48.894    9.194 1.00 30.95 ATOM 800 CE2 TRP 120 31.845 48.178    9.947 1.00 29.45 ATOM 801 CD2 TRP 120 31.282 49.059   10.880 1.00 28.43 ATOM 802 CE3 TRP 120 30.342 48.563   11.803 1.00 32.37 ATOM 803 CZ3 TRP 120 29.953 47.235   11.706 1.00 32.51 ATOM 804 CH2 TRP 120 30.525 46.389   10.738 1.00 29.55 ATOM 805 CZ2 TRP 120 31.460 46.849    9.854 1.00 27.43 ATOM 806 C TRP 120 32.366 53.356    9.861 1.00 30.85 ATOM 807 O TRP 120 31.266 53.854    9.653 1.00 30.27 ATOM 808 N GLY 121 33.345 53.443    8.958 1.00 31.66 ATOM 809 CA GLY 121 33.078 53.981    7.615 1.00 31.08 ATOM 810 C GLY 121 32.910 52.950    6.508 1.00 31.49 ATOM 811 O GLY 121 33.665 51.985    6.422 1.00 31.67 ATOM 812 N LYS 122 31.927 53.171    5.629 1.00 31.48 ATOM 813 CA LYS 122 31.718 52.265    4.533 1.00 31.09 ATOM 814 CB LYS 122 30.389 51.571    4.680 1.00 32.01 ATOM 815 CG LYS 122 30.440 50.581    5.788 1.00 33.22 ATOM 816 CD LYS 122 29.157 49.842    5.988 1.00 35.54 ATOM 817 CE LYS 122 29.238 49.243    7.395 1.00 40.37 ATOM 818 NZ LYS 122 27.943 48.667    7.876 1.00 39.48 ATOM 819 C LYS 122 31.799 53.038    3.243 1.00 31.01 ATOM 820 O LYS 122 30.893 53.769    2.918 1.00 30.45 ATOM 821 N PHE 123 32.916 52.898    2.539 1.00 30.51 ATOM 822 CA PHE 123 33.188 53.707    1.365 1.00 30.87 ATOM 823 CB PHE 123 34.660 54.082    1.271 1.00 29.37 ATOM 824 CG PHE 123 35.048 55.181    2.217 1.00 31.57 ATOM 825 CD1 PHE 123 35.280 54.900    3.596 1.00 34.46 ATOM 826 CE1 PHE 123 35.627 55.899    4.489 1.00 33.64 ATOM 827 CZ PHE 123 35.731 57.220    4.027 1.00 34.14 ATOM 828 CE2 PHE 123 35.490 57.505    2.668 1.00 34.45 ATOM 829 CD2 PHE 123 35.157 56.475    1.779 1.00 28.20 ATOM 830 C PHE 123 32.712 53.045    0.071 1.00 31.56 ATOM 831 O PHE 123 32.672 51.811  −0.034 1.00 31.78 ATOM 832 N THR 124 32.385 53.873  −0.927 1.00 31.67 ATOM 833 CA THR 124 31.999 53.327  −2.258 1.00 31.12 ATOM 834 CB THR 124 31.218 54.363  −3.113 1.00 29.90 ATOM 835 OG1 THR 124 32.049 55.495  −3.328 1.00 29.06 ATOM 836 CG2 THR 124 29.993 54.830  −2.358 1.00 29.97 ATOM 837 C THR 124 33.244 52.808  −2.969 1.00 30.92 ATOM 838 O THR 124 34.358 53.283  −2.679 1.00 31.62 ATOM 839 N PRO 125 33.076 51.820  −3.881 1.00 31.66 ATOM 840 CA PRO 125 34.248 51.192  −4.486 1.00 32.62 ATOM 841 CB PRO 125 33.669 49.961  −5.208 1.00 32.91 ATOM 842 CG PRO 125 32.200 50.186  −5.279 1.00 31.43 ATOM 843 CD PRO 125 31.802 51.208  −4.321 1.00 30.86 ATOM 844 C PRO 125 35.044 52.084  −5.417 1.00 34.34 ATOM 845 O PRO 125 34.511 53.071  −5.921 1.00 34.29 ATOM 846 N ARG 126 36.339 51.775  −5.578 1.00 35.55 ATOM 847 CA ARG 126 37.204 52.454  −6.556 1.00 36.86 ATOM 848 CB ARG 126 38.114 53.489  −5.896 1.00 36.86 ATOM 849 CG ARG 126 37.427 54.727  −5.380 1.00 42.43 ATOM 850 CD ARG 126 36.746 55.554  −6.501 1.00 50.65 ATOM 851 NE ARG 126 36.056 56.770  −6.022 1.00 55.97 ATOM 852 CZ ARG 126 34.740 56.994  −6.137 1.00 58.82 ATOM 853 NH1 ARG 126 33.940 56.088  −6.681 1.00 59.04 ATOM 854 NH2 ARG 126 34.214 58.131  −5.698 1.00 60.14 ATOM 855 C ARG 126 38.060 51.358  −7.124 1.00 36.57 ATOM 856 O ARG 126 38.706 50.639  −6.360 1.00 37.65 ATOM 857 N GLY 127 38.043 51.163  −8.440 1.00 35.58 ATOM 858 CA GLY 127 38.743 50.011  −8.999 1.00 33.48 ATOM 859 C GLY 127 38.087 48.714  −8.556 1.00 33.81 ATOM 860 O GLY 127 38.748 47.662  −8.490 1.00 34.75 ATOM 861 N GLY 128 36.784 48.771  −8.265 1.00 31.98 ATOM 862 CA GLY 128 36.061 47.614  −7.816 1.00 31.99 ATOM 863 C GLY 128 36.284 47.151  −6.381 1.00 31.84 ATOM 864 O GLY 128 35.719 46.163  −5.981 1.00 33.17 ATOM 865 N ILE 129 37.104 47.850  −5.610 1.00 31.05 ATOM 866 CA ILE 129 37.377 47.472  −4.215 1.00 31.68 ATOM 867 CB ILE 129 38.904 47.354  −3.973 1.00 31.43 ATOM 868 CG1 ILE 129 39.468 46.197  −4.781 1.00 30.96 ATOM 869 CD1 ILE 129 40.997 45.993  −4.596 1.00 33.21 ATOM 870 CG2 ILE 129 39.232 47.166  −2.495 1.00 31.24 ATOM 871 C ILE 129 36.840 48.591  −3.353 1.00 30.10 ATOM 872 O ILE 129 37.174 49.722  −3.610 1.00 31.71 ATOM 873 N SER 130 35.990 48.295  −2.379 1.00 29.38 ATOM 874 CA SER 130 35.653 49.295  −1.373 1.00 28.88 ATOM 875 CB SER 130 34.136 49.333  −1.182 1.00 28.32 ATOM 876 OG SER 130 33.684 48.035  −0.875 1.00 29.12 ATOM 877 C SER 130 36.426 49.098  −0.009 1.00 29.46 ATOM 878 O SER 130 36.778 47.976    0.376 1.00 29.70 ATOM 879 N ILE 131 36.638 50.179    0.739 1.00 30.63 ATOM 880 CA ILE 131 37.364 50.105    2.027 1.00 31.23 ATOM 881 CB ILE 131 38.559 51.077    2.052 1.00 31.38 ATOM 882 CG1 ILE 131 39.366 50.937    0.755 1.00 33.26 ATOM 883 CD1 ILE 131 40.614 51.829    0.650 1.00 32.05 ATOM 884 CG2 ILE 131 39.483 50.790    3.251 1.00 30.53 ATOM 885 C ILE 131 36.425 50.481    3.159 1.00 30.83 ATOM 886 O ILE 131 35.742 51.452    3.053 1.00 30.60 ATOM 887 N ASP 132 36.386 49.678    4.229 1.00 31.33 ATOM 888 CA ASP 132 35.550 49.935    5.428 1.00 31.26 ATOM 889 CB ASP 132 34.425 48.903    5.563 1.00 30.16 ATOM 890 CG ASP 132 33.560 48.789    4.316 1.00 33.74 ATOM 891 OD1 ASP 132 33.671 49.657    3.418 1.00 33.52 ATOM 892 OD2 ASP 132 32.733 47.833    4.278 1.00 34.98 ATOM 893 C ASP 132 36.428 49.862    6.703 1.00 30.74 ATOM 894 O ASP 132 36.635 48.778    7.266 1.00 31.02 ATOM 895 N PRO 133 36.920 51.013    7.164 1.00 30.59 ATOM 896 CA PRO 133 37.764 51.077    8.340 1.00 29.65 ATOM 897 CB PRO 133 38.584 52.360    8.109 1.00 29.09 ATOM 898 CG PRO 133 38.134 52.884    6.709 1.00 30.29 ATOM 899 CD PRO 133 36.745 52.363    6.588 1.00 29.91 ATOM 900 C PRO 133 36.872 51.231    9.570 1.00 30.09 ATOM 901 O PRO 133 35.913 52.013    9.578 1.00 30.80 ATOM 902 N TYR 134 37.187 50.447   10.585 1.00 29.67 ATOM 903 CA TYR 134 36.486 50.464   11.809 1.00 29.22 ATOM 904 CB TYR 134 35.800 49.151   12.005 1.00 28.44 ATOM 905 CG TYR 134 35.304 48.965   13.399 1.00 27.51 ATOM 906 CD1 TYR 134 36.025 48.151   14.324 1.00 29.90 ATOM 907 CE1 TYR 134 35.569 47.934   15.650 1.00 26.68 ATOM 908 CZ TYR 134 34.441 48.586   16.047 1.00 29.03 ATOM 909 OH TYR 134 33.972 48.412   17.294 1.00 27.72 ATOM 910 CE2 TYR 134 33.707 49.405   15.143 1.00 30.71 ATOM 911 CD2 TYR 134 34.155 49.572   13.816 1.00 26.32 ATOM 912 C TYR 134 37.492 50.735   12.930 1.00 30.34 ATOM 913 O TYR 134 38.524 50.076   13.091 1.00 28.89 ATOM 914 N THR 135 37.158 51.736   13.707 1.00 30.26 ATOM 915 CA THR 135 38.018 52.146   14.768 1.00 30.91 ATOM 916 CB THR 135 38.747 53.385   14.302 1.00 30.38 ATOM 917 OG1 THR 135 39.907 53.557   15.094 1.00 35.78 ATOM 918 CG2 THR 135 37.821 54.638   14.395 1.00 30.34 ATOM 919 C THR 135 37.172 52.323   16.088 1.00 30.40 ATOM 920 O THR 135 35.991 52.657   16.053 1.00 30.54 ATOM 921 N ASN 136 37.753 52.022   17.236 1.00 29.91 ATOM 922 CA ASN 136 37.088 52.277   18.508 1.00 29.96 ATOM 923 CB ASN 136 36.193 51.113   18.936 1.00 29.53 ATOM 924 CG ASN 136 36.994 49.937   19.359 1.00 28.78 ATOM 925 OD1 ASN 136 38.201 50.078   19.529 1.00 26.61 ATOM 926 ND2 ASN 136 36.378 48.761   19.447 1.00 25.15 ATOM 927 C ASN 136 38.110 52.621   19.630 1.00 30.78 ATOM 928 O ASN 136 39.344 52.647   19.411 1.00 28.47 ATOM 929 N TYR 137 37.562 52.905   20.814 1.00 31.12 ATOM 930 CA TYR 137 38.313 53.514   21.906 1.00 31.64 ATOM 931 CB TYR 137 38.571 54.984   21.602 1.00 33.33 ATOM 932 CG TYR 137 38.879 55.837   22.836 1.00 37.62 ATOM 933 CD1 TYR 137 37.822 56.361   23.626 1.00 37.34 ATOM 934 CE1 TYR 137 38.080 57.119   24.722 1.00 36.16 ATOM 935 CZ TYR 137 39.414 57.381   25.087 1.00 38.10 ATOM 936 OH TYR 137 39.659 58.165   26.209 1.00 39.09 ATOM 937 CE2 TYR 137 40.486 56.884   24.330 1.00 37.20 ATOM 938 CD2 TYR 137 40.213 56.113   23.215 1.00 34.37 ATOM 939 C TYR 137 37.467 53.400   23.140 1.00 30.38 ATOM 940 O TYR 137 36.252 53.533   23.055 1.00 30.26 ATOM 941 N HIS 155 35.262 42.027   15.880 1.00 29.86 ATOM 942 CA HIS 155 34.640 42.920   14.879 1.00 29.59 ATOM 943 CB HIS 155 35.513 44.133   14.577 1.00 28.65 ATOM 944 CG HIS 155 35.000 44.961   13.452 1.00 27.72 ATOM 945 ND1 HIS 155 33.759 45.563   13.489 1.00 25.74 ATOM 946 CE1 HIS 155 33.566 46.222   12.359 1.00 25.85 ATOM 947 NE2 HIS 155 34.650 46.103   11.614 1.00 25.48 ATOM 948 CD2 HIS 155 35.556 45.304   12.266 1.00 25.46 ATOM 949 C HIS 155 34.299 42.173   13.572 1.00 28.28 ATOM 950 O HIS 155 35.153 41.438   13.015 1.00 27.64 ATOM 951 O HOH  3 46.780 55.828    8.704 1.00 47.32 ATOM 952 O HOH  4 50.902 46.456    9.307 1.00 33.52 ATOM 953 O HOH  28 37.213 43.349  −6.645 1.00 32.19 ATOM 954 O HOH  47 36.570 52.332  −1.279 1.00 24.90 ATOM 955 O HOH  61 35.979 46.671    9.152 1.00 37.04 ATOM 956 O HOH  82 41.234 50.892  −5.807 1.00 38.48 ATOM 957 O HOH  90 54.411 44.108   13.049 1.00 46.38 ATOM 958 O HOH  92 37.581 60.398    0.659 1.00 67.71 ATOM 959 O HOH  98 36.023 44.145    8.886 1.00 45.09 ATOM 960 O HOH 109 46.737 49.479   13.659 1.00 35.03 ATOM 961 O HOH 118 34.771 50.646  −8.465 1.00 41.43 ATOM 962 O HOH 132 45.935 60.032    4.495 1.00 33.56 ATOM 963 O HOH 136 35.102 56.335  −2.597 1.00 47.88 ATOM 964 O HOH 143 44.970 50.059    3.968 1.00 31.95 ATOM 965 O HOH 243 38.885 44.939  −8.276 1.00 32.22 ATOM 966 O HOH 247 40.925 43.860  −8.562 1.00 38.90 ATOM 967 O HOH 251 39.625 61.715    1.763 1.00 47.53 TER

TABLE 5 ATOM 1 N ASN 21 −12.994 44.902 31.976 1.00 77.48 ATOM 2 CA ASN 21 −12.605 46.316 31.623 1.00 77.76 ATOM 3 CB ASN 21 −13.806 47.268 31.784 1.00 78.33 ATOM 4 CG ASN 21 −14.940 46.946 30.798 1.00 79.60 ATOM 5 OD1 ASN 21 −14.730 46.916 29.577 1.00 79.76 ATOM 6 ND2 ASN 21 −16.145 46.698 31.328 1.00 80.00 ATOM 7 C ASN 21 −11.320 46.836 32.324 1.00 77.04 ATOM 8 O ASN 21 −10.831 46.202 33.281 1.00 77.25 ATOM 9 N TYR 22 −10.817 47.998 31.863 1.00 75.75 ATOM 10 CA TYR 22 −9.368 48.336 31.878 1.00 74.20 ATOM 11 CB TYR 22 −8.879 48.520 30.428 1.00 74.59 ATOM 12 CG TYR 22 −8.897 47.253 29.567 1.00 75.55 ATOM 13 CD1 TYR 22 −10.083 46.797 28.958 1.00 75.86 ATOM 14 CE1 TYR 22 −10.093 45.626 28.156 1.00 75.88 ATOM 15 CZ TYR 22 −8.911 44.912 27.950 1.00 75.44 ATOM 16 OH TYR 22 −8.911 43.766 27.157 1.00 74.92 ATOM 17 CE2 TYR 22 −7.722 45.356 28.531 1.00 75.09 ATOM 18 CD2 TYR 22 −7.721 46.520 29.337 1.00 76.17 ATOM 19 C TYR 22 −8.872 49.522 32.750 1.00 72.82 ATOM 20 O TYR 22 −9.312 50.674 32.593 1.00 72.91 ATOM 21 N LEU 23 −7.930 49.216 33.648 1.00 70.41 ATOM 22 CA LEU 23 −7.288 50.200 34.519 1.00 68.04 ATOM 23 CB LEU 23 −6.869 49.559 35.861 1.00 68.48 ATOM 24 CG LEU 23 −7.891 48.928 36.824 1.00 69.66 ATOM 25 CD1 LEU 23 −7.415 47.564 37.364 1.00 68.67 ATOM 26 CD2 LEU 23 −8.288 49.897 37.975 1.00 70.93 ATOM 27 C LEU 23 −6.038 50.687 33.805 1.00 65.77 ATOM 28 O LEU 23 −5.174 49.884 33.474 1.00 65.09 ATOM 29 O3S G6S 202 −11.169 39.440 21.298 1.00 0.80 ATOM 30 S G6S 202 −9.744 39.544 20.857 1.00 0.32 ATOM 31 O1S G6S 202 −9.054 40.576 21.672 1.00 0.47 ATOM 32 O2S G6S 202 −9.662 39.973 19.434 1.00 0.44 ATOM 33 O6 G6S 202 −8.995 38.075 21.034 1.00 0.52 ATOM 34 C6 G6S 202 −9.433 37.001 21.890 1.00 0.05 ATOM 35 C5 G6S 202 −8.372 36.587 22.941 1.00 0.81 ATOM 36 O5 G6S 202 −8.6513 7.198 24.218 1.00 0.85 ATOM 37 C4 G6S 202 −6.864 36.723 22.559 1.00 0.89 ATOM 38 O4 G6S 202 −6.609 36.762 21.144 1.00 99.16 ATOM 39 C3 G6S 202 −6.076 37.873 23.216 1.00 99.15 ATOM 40 O3 G6S 202 −5.338 38.595 22.220 1.00 96.07 ATOM 41 C2 G6S 202 −6.832 38.822 24.181 1.00 99.78 ATOM 42 O2 G6S 202 −6.531 40.201 23.906 1.00 97.61 ATOM 43 C1 G6S 202 −8.347 38.597 24.275 1.00 0.22 ATOM 44 O1 G6S 202 −8.835 39.145 25.504 1.00 0.17 ATOM 45 N ASN 21 −6.347 6.610 11.027 1.00 76.18 ATOM 46 CA ASN 21 −6.828 7.604 12.046 1.00 76.06 ATOM 47 CB ASN 21 −7.767 6.922 13.061 1.00 76.90 ATOM 48 CG ASN 21 −9.264 7.033 12.670 1.00 78.87 ATOM 49 OD1 ASN 21 −9.751 8.115 12.286 1.00 79.27 ATOM 50 ND2 ASN 21 −9.994 5.910 12.787 1.00 78.83 ATOM 51 C ASN 21 −5.704 8.375 12.773 1.00 75.05 ATOM 52 O ASN 21 −4.633 7.811 13.037 1.00 75.14 ATOM 53 N TYR 22 −5.963 9.658 13.075 1.00 73.30 ATOM 54 CA TYR 22 −5.024 10.554 13.784 1.00 71.17 ATOM 55 CB TYR 22 −4.819 11.874 13.019 1.00 71.82 ATOM 56 CG TYR 22 −3.935 11.821 11.802 1.00 71.49 ATOM 57 CD1 TYR 22 −4.459 11.492 10.553 1.00 72.23 ATOM 58 CE1 TYR 22 −3.645 11.439 9.412 1.00 72.96 ATOM 59 CZ TYR 22 −2.297 11.740 9.521 1.00 72.71 ATOM 60 OH TYR 22 −1.493 11.699 8.405 1.00 72.62 ATOM 61 CE2 TYR 22 −1.757 12.086 10.758 1.00 73.45 ATOM 62 CD2 TYR 22 −2.584 12.127 11.891 1.00 72.44 ATOM 63 C TYR 22 −5.566 10.921 15.166 1.00 69.29 ATOM 64 O TYR 22 −6.686 11.426 15.313 1.00 69.25 ATOM 65 N LEU 23 −4.758 10.688 16.182 1.00 66.64 ATOM 66 CA LEU 23 −5.132 11.060 17.519 1.00 63.93 ATOM 67 CB LEU 23 −4.336 10.227 18.531 1.00 64.90 ATOM 68 CG LEU 23 −4.227 8.733 18.176 1.00 66.26 ATOM 69 CD1 LEU 23 −3.086 8.014 18.926 1.00 65.53 ATOM 70 CD2 LEU 23 −5.606 8.006 18.327 1.00 67.93 ATOM 71 C LEU 23 −4.810 12.531 17.660 1.00 61.09 ATOM 72 O LEU 23 −3.711 12.954 17.345 1.00 59.70 ATOM 73 N PHE 24 −5.792 13.306 18.096 1.00 58.58 ATOM 74 CA PHE 24 −5.551 14.687 18.474 1.00 56.64 ATOM 75 CB PHE 24 −6.471 15.653 17.722 1.00 56.03 ATOM 76 CG PHE 24 −6.259 15.642 16.222 1.00 56.10 ATOM 77 CD1 PHE 24 −7.352 15.698 15.344 1.00 55.47 ATOM 78 CE1 PHE 24 −7.163 15.673 13.959 1.00 54.37 ATOM 79 CZ PHE 24 −5.867 15.587 13.431 1.00 54.86 ATOM 80 CE2 PHE 24 −4.766 15.526 14.300 1.00 55.69 ATOM 81 CD2 PHE 24 −4.970 15.547 15.684 1.00 55.01 ATOM 82 C PHE 24 −5.591 14.888 19.992 1.00 55.70 ATOM 83 O PHE 24 −5.461 16.033 20.475 1.00 55.37 ATOM 84 N GLU 25 −5.744 13.774 20.730 1.00 53.85 ATOM 85 CA GLU 25 −5.568 13.755 22.198 1.00 51.90 ATOM 86 CB GLU 25 −6.628 12.890 22.896 1.00 53.16 ATOM 87 CG GLU 25 −7.993 12.810 22.235 1.00 56.60 ATOM 88 CD GLU 25 −8.687 14.150 22.185 1.00 60.77 ATOM 89 OE1 GLU 25 −8.629 14.873 23.215 1.00 60.96 ATOM 90 OE2 GLU 25 −9.285 14.479 21.112 1.00 63.56 ATOM 91 C GLU 25 −4.174 13.240 22.574 1.00 49.01 ATOM 92 O GLU 25 −3.649 12.308 21.948 1.00 48.66 ATOM 93 N TYR 26 −3.606 13.817 23.622 1.00 45.71 ATOM 94 CA TYR 26 −2.213 13.575 24.001 1.00 43.62 ATOM 95 CB TYR 26 −1.939 14.257 25.337 1.00 43.09 ATOM 96 CG TYR 26 −0.599 13.938 25.997 1.00 41.77 ATOM 97 CD1 TYR 26 −0.565 13.233 27.214 1.00 38.81 ATOM 98 CE1 TYR 26 0.630 12.962 27.857 1.00 39.58 ATOM 99 CZ TYR 26 1.815 13.421 27.313 1.00 42.46 ATOM 100 OH TYR 26 2.980 13.122 27.974 1.00 42.52 ATOM 101 CE2 TYR 26 1.836 14.109 26.079 1.00 40.19 ATOM 102 CD2 TYR 26 0.611 14.371 25.435 1.00 37.62 ATOM 103 C TYR 26 −1.778 12.107 24.042 1.00 42.34 ATOM 104 O TYR 26 −2.286 11.343 24.843 1.00 41.66 ATOM 105 N SER 54 −2.0122 3.788 19.960 1.00 31.83 ATOM 106 CA SER 54 −2.610 23.179 21.146 1.00 33.32 ATOM 107 CB SER 54 −1.544 22.902 22.229 1.00 33.47 ATOM 108 OG SER 54 −0.994 24.120 22.715 1.00 33.23 ATOM 109 C SER 54 −3.661 24.144 21.696 1.00 34.99 ATOM 110 O SER 54 −3.961 25.141 21.075 1.00 34.15 ATOM 111 N LEU 55 −4.208 23.855 22.875 1.00 38.17 ATOM 112 CA LEU 55 −5.315 24.640 23.414 1.00 40.67 ATOM 113 CB LEU 55 −6.559 23.778 23.595 1.00 40.34 ATOM 114 CG LEU 55 −7.119 23.063 22.367 1.00 37.91 ATOM 115 CD1 LEU 55 −8.373 22.345 22.800 1.00 37.30 ATOM 116 CD2 LEU 55 −7.432 24.012 21.230 1.00 39.20 ATOM 117 C LEU 55 −4.935 25.321 24.692 1.00 43.65 ATOM 118 O LEU 55 −4.064 24.834 25.425 1.00 44.27 ATOM 119 N CYS 56 −5.529 26.494 24.896 1.00 46.46 ATOM 120 CA CYS 56 −5.442 27.214 26.148 1.00 48.90 ATOM 121 CB CYS 56 −5.937 28.650 25.952 1.00 49.06 ATOM 122 SG CYS 56 −5.837 29.698 27.414 1.00 50.31 ATOM 123 C CYS 56 −6.286 26.463 27.205 1.00 50.34 ATOM 124 O CYS 56 −7.471 26.153 26.961 1.00 50.82 ATOM 125 N PRO 57 −5.677 26.132 28.362 1.00 51.54 ATOM 126 CA PRO 57 −6.344 25.179 29.267 1.00 52.63 ATOM 127 CB PRO 57 −5.274 24.902 30.330 1.00 52.63 ATOM 128 CG PRO 57 −4.377 26.143 30.303 1.00 51.98 ATOM 129 CD PRO 57 −4.366 26.585 28.879 1.00 50.82 ATOM 130 C PRO 57 −7.618 25.738 29.917 1.00 53.90 ATOM 131 O PRO 57 −8.503 24.962 30.324 1.00 54.88 ATOM 132 N LYS 58 −7.707 27.065 29.975 1.00 54.79 ATOM 133 CA LYS 58 −8.760 27.785 30.656 1.00 55.67 ATOM 134 CB LYS 58 −8.185 28.994 31.424 1.00 56.91 ATOM 135 CG LYS 58 −7.868 28.699 32.904 1.00 59.21 ATOM 136 CD LYS 58 −6.400 28.263 33.166 1.00 62.63 ATOM 137 CE LYS 58 −6.232 27.349 34.438 1.00 62.29 ATOM 138 NZ LYS 58 −6.393 25.849 34.167 1.00 63.69 ATOM 139 C LYS 58 −9.873 28.225 29.715 1.00 55.58 ATOM 140 O LYS 58 −11.048 28.018 30.032 1.00 56.09 ATOM 141 N VAL 59 −9.516 28.835 28.576 1.00 54.74 ATOM 142 CA VAL 59 −10.495 29.254 27.545 1.00 52.88 ATOM 143 CB VAL 59 −10.062 30.547 26.843 1.00 52.91 ATOM 144 CG1 VAL 59 −10.096 31.737 27.800 1.00 53.31 ATOM 145 CG2 VAL 59 −8.689 30.412 26.261 1.00 52.44 ATOM 146 C VAL 59 −10.794 28.197 26.455 1.00 52.24 ATOM 147 O VAL 59 −11.843 28.249 25.814 1.00 52.31 ATOM 148 N GLY 60 −9.883 27.253 26.220 1.00 50.54 ATOM 149 CA GLY 60 −10.030 26.353 25.061 1.00 48.58 ATOM 150 C GLY 60 −9.691 27.000 23.704 1.00 47.45 ATOM 151 O GLY 60 −9.919 26.371 22.641 1.00 46.89 ATOM 152 N GLN 61 −9.165 28.241 23.728 1.00 45.26 ATOM 153 CA GLN 61 −8.682 28.935 22.505 1.00 44.42 ATOM 154 CB GLN 61 −8.461 30.445 22.743 1.00 43.87 ATOM 155 CG GLN 61 −8.509 31.305 21.438 1.00 49.56 ATOM 156 CD GLN 61 −7.584 32.609 21.424 1.00 49.55 ATOM 157 OE1 GLN 61 −6.818 32.872 22.372 1.00 58.03 ATOM 158 NE2 GLN 61 −7.703 33.421 20.351 1.00 50.79 ATOM 159 C GLN 61 −7.391 28.259 21.985 1.00 40.55 ATOM 160 O GLN 61 −6.489 27.907 22.768 1.00 39.97 ATOM 161 N PRO 62 −7.330 28.002 20.667 1.00 37.57 ATOM 162 CA PRO 62 −6.092 27.504 20.049 1.00 34.50 ATOM 163 CB PRO 62 −6.479 27.258 18.597 1.00 34.78 ATOM 164 CG PRO 62 −7.804 27.949 18.411 1.00 35.70 ATOM 165 CD PRO 62 −8.458 28.063 19.728 1.00 36.57 ATOM 166 C PRO 62 −4.880 28.447 20.155 1.00 32.05 ATOM 167 O PRO 62 −5.026 29.633 20.185 1.00 29.71 ATOM 168 N ASP 63 −3.694 27.846 20.236 1.00 31.14 ATOM 169 CA ASP 63 −2.413 28.498 20.359 1.00 30.90 ATOM 170 CB ASP 63 −1.861 28.261 21.785 1.00 32.30 ATOM 171 CG ASP 63 −2.528 29.168 22.831 1.00 41.48 ATOM 172 OD1 ASP 63 −3.089 30.261 22.489 1.00 48.28 ATOM 173 OD2 ASP 63 −2.502 28.800 24.033 1.00 51.27 ATOM 174 C ASP 63 −1.523 27.848 19.287 1.00 28.42 ATOM 175 O ASP 63 −1.793 26.708 18.885 1.00 27.04 ATOM 176 N ARG 91 −3.099 18.671 19.435 1.00 32.06 ATOM 177 CA ARG 91 −4.020 19.543 18.691 1.00 33.93 ATOM 178 CB ARG 91 −4.329 18.975 17.314 1.00 32.54 ATOM 179 CG ARG 91 −5.098 19.936 16.401 1.00 33.90 ATOM 180 CD ARG 91 −5.554 19.192 15.143 1.00 31.62 ATOM 181 NE ARG 91 −6.181 20.057 14.146 1.00 35.99 ATOM 182 CZ ARG 91 −5.538 20.909 13.335 1.00 34.09 ATOM 183 NH1 ARG 91 −4.202 21.078 13.420 1.00 31.27 ATOM 184 NH2 ARG 91 −6.245 21.617 12.437 1.00 32.64 ATOM 185 C ARG 91 −5.277 19.874 19.482 1.00 35.44 ATOM 186 O ARG 91 −5.711 21.003 19.501 1.00 34.63 ATOM 187 N ASN 92 −5.818 18.918 20.225 1.00 38.69 ATOM 188 CA ASN 92 −6.984 19.236 21.031 1.00 41.67 ATOM 189 CB ASN 92 −8.126 18.364 20.554 1.00 43.01 ATOM 190 CG ASN 92 −9.469 18.778 21.140 1.00 48.25 ATOM 191 OD1 ASN 92 −10.054 18.021 21.932 1.00 54.32 ATOM 192 ND2 ASN 92 −9.979 19.969 20.760 1.00 50.71 ATOM 193 C ASN 92 −6.741 19.178 22.574 1.00 42.99 ATOM 194 O ASN 92 −7.672 19.080 23.377 1.00 44.64 ATOM 195 N HIS 93 −5.482 19.281 22.985 1.00 43.46 ATOM 196 CA HIS 93 −5.053 19.119 24.378 1.00 43.34 ATOM 197 CB HIS 93 −3.732 18.335 24.385 1.00 43.87 ATOM 198 CG HIS 93 −3.136 18.126 25.750 1.00 46.71 ATOM 199 ND1 HIS 93 −1.938 18.696 26.131 1.00 49.45 ATOM 200 CE1 HIS 93 −1.649 18.329 27.367 1.00 49.71 ATOM 201 NE2 HIS 93 −2.623 17.551 27.808 1.00 49.32 ATOM 202 CD2 HIS 93 −3.568 17.409 26.818 1.00 46.55 ATOM 203 C HIS 93 −4.805 20.478 25.011 1.00 42.85 ATOM 204 O HIS 93 −4.069 21.295 24.439 1.00 42.79 ATOM 205 N GLY 94 −5.374 20.711 26.191 1.00 42.52 ATOM 206 CA GLY 94 −5.185 21.974 26.911 1.00 43.43 ATOM 207 C GLY 94 −4.019 21.964 27.881 1.00 44.21 ATOM 208 O GLY 94 −3.951 21.072 28.692 1.00 45.14 ATOM 209 O HOH 20 −5.211 15.614 25.409 1.00 41.75 ATOM 210 O HOH 112 −5.998 32.041 25.975 1.00 53.31 ATOM 211 O HOH 148 −8.791 20.672 18.386 1.00 48.74 ATOM 212 O HOH 149 −1.901 19.846 14.793 1.00 40.80 ATOM 213 O HOH 152 −9.951 12.790 16.600 1.00 46.81 ATOM 214 O HOH 162 −8.767 40.966 29.438 1.00 53.57 ATOM 215 O HOH 197 −5.204 37.964 26.824 1.00 40.46 ATOM 216 O HOH 209 −4.931 10.265 21.846 1.00 58.34 ATOM 217 O HOH 217 −9.974 33.739 21.449 1.00 63.31 ATOM 218 O HOH 223 −7.059 18.630 27.537 1.00 44.78 ATOM 219 N ASN 21 −4.788 21.978 18.878 1.00 75.05 ATOM 220 CA ASN 21 −5.902 22.791 18.298 1.00 75.35 ATOM 221 CB ASN 21 −6.341 23.933 19.259 1.00 75.78 ATOM 222 CG ASN 21 −6.077 23.619 20.749 1.00 76.69 ATOM 223 OD1 ASN 21 −6.803 22.846 21.381 1.00 77.28 ATOM 224 ND2 ASN 21 −5.045 24.249 21.308 1.00 76.09 ATOM 225 C ASN 21 −5.486 23.389 16.939 1.00 74.75 ATOM 226 O ASN 21 −5.481 24.625 16.780 1.00 75.08 ATOM 227 N TYR 22 −5.126 22.512 15.983 1.00 73.57 ATOM 228 CA TYR 22 −4.629 22.885 14.620 1.00 71.80 ATOM 229 CB TYR 22 −3.093 23.003 14.582 1.00 72.49 ATOM 230 CG TYR 22 −2.519 24.259 15.203 1.00 73.51 ATOM 231 CD1 TYR 22 −2.054 24.260 16.524 1.00 74.27 ATOM 232 CE1 TYR 22 −1.523 25.414 17.105 1.00 75.09 ATOM 233 CZ TYR 22 −1.438 26.593 16.359 1.00 75.52 ATOM 234 OH TYR 22 −0.907 27.741 16.940 1.00 75.39 ATOM 235 CE2 TYR 22 −1.887 26.611 15.039 1.00 75.06 ATOM 236 CD2 TYR 22 −2.423 25.446 14.471 1.00 74.99 ATOM 237 C TYR 22 −5.044 21.833 13.590 1.00 69.73 ATOM 238 O TYR 22 −4.766 20.647 13.776 1.00 69.63 ATOM 239 N LEU 23 −5.697 22.267 12.510 1.00 67.13 ATOM 240 CA LEU 23 −6.064 21.365 11.407 1.00 64.76 ATOM 241 CB LEU 23 −7.290 21.897 10.640 1.00 65.44 ATOM 242 CG LEU 23 −8.647 22.056 11.367 1.00 67.86 ATOM 243 CD1 LEU 23 −9.681 22.852 10.511 1.00 68.53 ATOM 244 CD2 LEU 23 −9.237 20.701 11.853 1.00 68.46 ATOM 245 C LEU 23 −4.885 21.095 10.446 1.00 62.18 ATOM 246 O LEU 23 −4.323 22.016 9.849 1.00 61.84 ATOM 247 N PHE 24 −4.511 19.829 10.311 1.00 59.36 ATOM 248 CA PHE 24 −3.401 19.433 9.437 1.00 56.70 ATOM 249 CB PHE 24 −2.306 18.691 10.213 1.00 56.46 ATOM 250 CG PHE 24 −1.618 19.509 11.268 1.00 55.24 ATOM 251 CD1 PHE 24 −1.237 18.919 12.463 1.00 54.57 ATOM 252 CE1 PHE 24 −0.581 19.670 13.448 1.00 54.68 ATOM 253 CZ PHE 24 −0.294 21.022 13.234 1.00 54.99 ATOM 254 CE2 PHE 24 −0.661 21.622 12.041 1.00 55.01 ATOM 255 CD2 PHE 24 −1.317 20.864 11.063 1.00 56.28 ATOM 256 C PHE 24 −3.885 18.581 8.256 1.00 55.67 ATOM 257 O PHE 24 −3.081 18.048 7.481 1.00 54.45 ATOM 258 N GLU 25 −5.214 18.449 8.166 1.00 54.82 ATOM 259 CA GLU 25 −5.931 17.984 6.965 1.00 53.68 ATOM 260 CB GLU 25 −7.083 17.082 7.381 1.00 54.71 ATOM 261 CG GLU 25 −6.728 16.130 8.534 1.00 59.15 ATOM 262 CD GLU 25 −5.667 15.096 8.119 1.00 64.93 ATOM 263 OE1 GLU 25 −5.693 14.659 6.932 1.00 65.43 ATOM 264 OE2 GLU 25 −4.819 14.726 8.982 1.00 67.14 ATOM 265 C GLU 25 −6.483 19.217 6.217 1.00 51.49 ATOM 266 O GLU 25 −6.881 20.216 6.861 1.00 51.01 ATOM 267 N LYS 81 −2.380 35.410 9.512 1.00 38.05 ATOM 268 CA LYS 81 −2.765 34.277 10.399 1.00 38.29 ATOM 269 CB LYS 81 −3.391 34.749 11.709 1.00 38.47 ATOM 270 CG LYS 81 −3.339 33.644 12.763 1.00 43.77 ATOM 271 CD LYS 81 −3.338 34.200 14.201 1.00 49.29 ATOM 272 CE LYS 81 −4.758 34.316 14.748 1.00 54.55 ATOM 273 NZ LYS 81 −4.748 34.281 16.256 1.00 57.78 ATOM 274 C LYS 81 −3.620 33.189 9.727 1.00 36.81 ATOM 275 O LYS 81 −3.257 31.991 9.784 1.00 37.85 ATOM 276 N SER 82 −4.711 33.566 9.064 1.00 35.20 ATOM 277 CA SER 82 −5.563 32.576 8.345 1.00 33.64 ATOM 278 CB SER 82 −6.768 33.295 7.704 1.00 34.75 ATOM 279 OG SER 82 −6.393 34.037 6.549 1.00 33.65 ATOM 280 C SER 82 −4.803 31.810 7.284 1.00 32.78 ATOM 281 O SER 82 −5.067 30.633 7.000 1.00 33.37 ATOM 282 N LEU 85 −2.532 29.241 8.910 1.00 33.06 ATOM 283 CA LEU 85 −3.383 28.091 9.263 1.00 33.43 ATOM 284 CB LEU 85 −4.618 28.578 9.988 1.00 32.74 ATOM 285 CG LEU 85 −4.371 29.330 11.303 1.00 36.78 ATOM 286 CD1 LEU 85 −5.753 29.754 11.965 1.00 37.48 ATOM 287 CD2 LEU 85 −3.604 28.431 12.259 1.00 38.46 ATOM 288 C LEU 85 −3.768 27.341 8.006 1.00 33.59 ATOM 289 O LEU 85 −3.773 26.121 7.949 1.00 33.78 ATOM 290 N TYR 86 −4.081 28.092 6.962 1.00 33.33 ATOM 291 CA TYR 86 −4.430 27.431 5.717 1.00 32.84 ATOM 292 CB TYR 86 −4.906 28.468 4.674 1.00 32.11 ATOM 293 CG TYR 86 −5.053 27.898 3.283 1.00 31.82 ATOM 294 CD1 TYR 86 −6.078 26.987 2.980 1.00 28.59 ATOM 295 CE1 TYR 86 −6.209 26.466 1.699 1.00 32.86 ATOM 296 CZ TYR 86 −5.294 26.854 0.698 1.00 31.37 ATOM 297 OH TYR 86 −5.376 26.342 −0.559 1.00 30.97 ATOM 298 CE2 TYR 86 −4.283 27.755 0.974 1.00 31.22 ATOM 299 CD2 TYR 86 −4.157 28.273 2.259 1.00 31.02 ATOM 300 C TYR 86 −3.269 26.572 5.229 1.00 31.81 ATOM 301 O TYR 86 −3.446 25.398 4.869 1.00 31.35 ATOM 302 N PHE 88 −0.731 25.310 7.038 1.00 34.10 ATOM 303 CA PHE 88 −0.556 24.209 7.992 1.00 35.05 ATOM 304 CB PHE 88 −0.986 24.602 9.424 1.00 35.48 ATOM 305 CG PHE 88 −0.009 25.499 10.159 1.00 36.14 ATOM 306 CD1 PHE 88 −0.433 26.230 11.271 1.00 38.84 ATOM 307 CE1 PHE 88 0.470 27.024 11.985 1.00 38.29 ATOM 308 CZ PHE 88 1.803 27.121 11.564 1.00 38.18 ATOM 309 CE2 PHE 88 2.236 26.406 10.443 1.00 36.77 ATOM 310 CD2 PHE 88 1.327 25.603 9.752 1.00 38.00 ATOM 311 C PHE 88 −1.434 23.064 7.588 1.00 35.83 ATOM 312 O PHE 88 −1.070 21.904 7.798 1.00 35.38 ATOM 313 N SER 89 −2.619 23.382 7.059 1.00 35.76 ATOM 314 CA SER 89 −3.626 22.360 6.792 1.00 34.90 ATOM 315 CB SER 89 −4.956 23.030 6.403 1.00 35.63 ATOM 316 OG SER 89 −5.031 23.345 5.008 1.00 35.63 ATOM 317 C SER 89 −3.210 21.359 5.741 1.00 35.05 ATOM 318 O SER 89 −3.9212 0.374 5.486 1.00 35.82 ATOM 319 N PRO 57 −2.847 45.975 14.351 1.00 55.15 ATOM 320 CA PRO 57 −3.937 46.836 14.874 1.00 56.01 ATOM 321 CB PRO 57 −4.647 47.348 13.604 1.00 55.67 ATOM 322 CG PRO 57 −4.398 46.294 12.585 1.00 55.68 ATOM 323 CD PRO 57 −3.039 45.637 12.929 1.00 55.25 ATOM 324 C PRO 57 −4.911 46.087 15.805 1.00 56.80 ATOM 325 O PRO 57 −5.612 46.715 16.603 1.00 56.61 ATOM 326 N LYS 58 −4.926 44.761 15.704 1.00 57.84 ATOM 327 CA LYS 58 −5.835 43.953 16.494 1.00 59.47 ATOM 328 CB LYS 58 −6.215 42.667 15.749 1.00 60.28 ATOM 329 CG LYS 58 −7.548 42.773 14.949 1.00 63.29 ATOM 330 CD LYS 58 −7.474 43.789 13.763 1.00 64.69 ATOM 331 CE LYS 58 −8.831 43.991 13.055 1.00 64.11 ATOM 332 NZ LYS 58 −9.593 42.713 12.971 1.00 64.02 ATOM 333 C LYS 58 −5.270 43.644 17.876 1.00 59.38 ATOM 334 O LYS 58 −5.910 43.920 18.910 1.00 59.15 ATOM 335 N VAL 59 −4.057 43.100 17.900 1.00 59.37 ATOM 336 CA VAL 59 −3.519 42.599 19.160 1.00 58.99 ATOM 337 CB VAL 59 −2.878 41.250 18.958 1.00 59.24 ATOM 338 CG1 VAL 59 −1.660 41.382 18.089 1.00 58.19 ATOM 339 CG2 VAL 59 −2.566 40.599 20.337 1.00 62.18 ATOM 340 C VAL 59 −2.561 43.573 19.848 1.00 57.82 ATOM 341 O VAL 59 −2.373 43.508 21.058 1.00 57.80 TER

TABLE 6 REMARK Accelrys ViewerPro PDB file REMARK Created: Tue Dec. 14 18:42:17 Pacific Standard Time 2010 ATOM 1 N VAL 30 −10.027 29.197 21.848 1.00 39.88 ATOM 2 CA VAL 30 −9.712 28.307 20.715 1.00 38.85 ATOM 3 CB VAL 30 −9.718 28.990 19.321 1.00 38.91 ATOM 4 CG1 VAL 30 −8.669 30.074 19.218 1.00 37.59 ATOM 5 CG2 VAL 30 −11.093 29.537 19.024 1.00 39.29 ATOM 6 C VAL 30 −8.454 27.495 20.885 1.00 38.01 ATOM 7 O VAL 30 −8.291 26.493 20.195 1.00 39.15 ATOM 8 N LEU 31 −7.586 27.895 21.813 1.00 36.59 ATOM 9 CA LEU 31 −6.320 27.193 22.025 1.00 36.17 ATOM 10 CB LEU 31 −5.411 27.946 22.979 1.00 36.01 ATOM 11 CG LEU 31 −4.853 29.272 22.527 1.00 33.94 ATOM 12 CD1 LEU 31 −4.256 29.966 23.707 1.00 31.75 ATOM 13 CD2 LEU 31 −3.780 29.007 21.480 1.00 31.12 ATOM 14 C LEU 31 −6.485 25.785 22.545 1.00 36.98 ATOM 15 O LEU 31 −7.317 25.523 23.433 1.00 36.75 ATOM 16 N LYS 46 9.752 26.431 18.442 1.00 28.21 ATOM 17 CA LYS 46 9.514 27.829 17.967 1.00 27.33 ATOM 18 CB LYS 46 10.784 28.454 17.363 1.00 26.71 ATOM 19 CG LYS 46 10.609 29.922 16.907 1.00 28.68 ATOM 20 CD LYS 46 11.469 30.257 15.738 1.00 29.59 ATOM 21 CE LYS 46 12.822 30.659 16.132 1.00 35.72 ATOM 22 NZ LYS 46 13.871 30.248 15.017 1.00 33.53 ATOM 23 C LYS 46 8.390 27.893 16.961 1.00 26.64 ATOM 24 O LYS 46 8.386 27.140 16.036 1.00 26.42 ATOM 25 N PHE 47 7.460 28.822 17.125 1.00 27.04 ATOM 26 CA PHE 47 6.509 29.164 16.080 1.00 26.96 ATOM 27 CB PHE 47 5.122 29.288 16.631 1.00 27.29 ATOM 28 CG PHE 47 4.680 28.059 17.253 1.00 32.14 ATOM 29 CD1 PHE 47 5.061 27.752 18.556 1.00 32.34 ATOM 30 CE1 PHE 47 4.684 26.523 19.112 1.00 34.46 ATOM 31 CZ PHE 47 3.922 25.627 18.386 1.00 33.35 ATOM 32 CE2 PHE 47 3.532 25.925 17.103 1.00 35.35 ATOM 33 CD2 PHE 47 3.926 27.138 16.530 1.00 35.90 ATOM 34 C PHE 47 6.912 30.470 15.433 1.00 26.50 ATOM 35 O PHE 47 7.119 31.479 16.125 1.00 25.24 ATOM 36 N ASN 48 6.990 30.446 14.098 1.00 26.57 ATOM 37 CA ASN 48 7.222 31.672 13.318 1.00 26.60 ATOM 38 CB ASN 48 8.197 31.412 12.153 1.00 26.14 ATOM 39 CG ASN 48 9.474 30.836 12.606 1.00 23.57 ATOM 40 OD1 ASN 48 10.169 31.441 13.400 1.00 28.74 ATOM 41 ND2 ASN 48 9.806 29.653 12.137 1.00 24.59 ATOM 42 C ASN 48 5.894 32.145 12.824 1.00 26.71 ATOM 43 O ASN 48 5.224 31.415 12.114 1.00 26.51 ATOM 44 N CYS 49 5.506 33.376 13.174 1.00 27.64 ATOM 45 CA CYS 49 4.144 33.833 12.886 1.00 28.17 ATOM 46 CB CYS 49 3.345 33.977 14.190 1.00 28.79 ATOM 47 SG CYS 49 3.437 32.546 15.288 1.00 32.41 ATOM 48 C CYS 49 4.172 35.171 12.156 1.00 28.06 ATOM 49 O CYS 49 4.010 36.181 12.783 1.00 26.43 ATOM 50 N PRO 50 4.423 35.167 10.817 1.00 28.99 ATOM 51 CA PRO 50 4.617 36.400 10.031 1.00 29.58 ATOM 52 CB PRO 50 5.359 35.914 8.756 1.00 29.17 ATOM 53 CG PRO 50 5.412 34.467 8.860 1.00 29.81 ATOM 54 CD PRO 50 4.626 33.958 9.993 1.00 28.43 ATOM 55 C PRO 50 3.346 37.097 9.626 1.00 29.99 ATOM 56 O PRO 50 3.409 38.195 9.096 1.00 31.25 ATOM 57 N GLU 51 2.213 36.484 9.888 1.00 30.28 ATOM 58 CA GLU 51 0.947 36.995 9.431 1.00 31.01 ATOM 59 CB GLU 51 0.195 35.883 8.744 1.00 31.20 ATOM 60 CG GLU 51 0.898 35.423 7.474 1.00 31.72 ATOM 61 CD GLU 51 0.223 34.224 6.826 1.00 39.70 ATOM 62 OE1 GLU 51 −0.864 33.794 7.339 1.00 41.03 ATOM 63 OE2 GLU 51 0.791 33.703 5.815 1.00 39.79 ATOM 64 C GLU 51 0.099 37.650 10.496 1.00 30.89 ATOM 65 O GLU 51 −1.107 37.724 10.383 1.00 32.20 ATOM 66 N PHE 52 0.724 38.170 11.534 1.00 30.63 ATOM 67 CA PHE 52 −0.075 38.686 12.624 1.00 29.27 ATOM 68 CB PHE 52 0.705 38.605 13.946 1.00 29.89 ATOM 69 CG PHE 52 −0.031 39.236 15.114 1.00 28.40 ATOM 70 CD1 PHE 52 −0.890 38.482 15.907 1.00 28.58 ATOM 71 CE1 PHE 52 −1.580 39.056 16.983 1.00 24.69 ATOM 72 CZ PHE 52 −1.404 40.368 17.259 1.00 27.97 ATOM 73 CE2 PHE 52 −0.557 41.156 16.447 1.00 29.23 ATOM 74 CD2 PHE 52 0.125 40.578 15.399 1.00 26.27 ATOM 75 C PHE 52 −0.491 40.118 12.337 1.00 29.10 ATOM 76 O PHE 52 0.323 40.920 11.880 1.00 28.69 ATOM 77 N ALA 65 2.722 42.393 12.363 1.00 25.05 ATOM 78 CA ALA 65 3.949 42.023 13.033 1.00 25.65 ATOM 79 CB ALA 65 3.646 41.872 14.597 1.00 25.77 ATOM 80 C ALA 65 4.391 40.689 12.554 1.00 24.74 ATOM 81 O ALA 65 3.595 39.881 12.154 1.00 23.37 ATOM 82 N THR 66 5.652 40.394 12.715 1.00 25.21 ATOM 83 CA THR 66 5.993 38.982 12.790 1.00 26.25 ATOM 84 CB THR 66 7.251 38.700 11.952 1.00 25.43 ATOM 85 OG1 THR 66 6.923 38.942 10.577 1.00 27.57 ATOM 86 CG2 THR 66 7.623 37.300 12.088 1.00 27.62 ATOM 87 C THR 66 6.193 38.642 14.281 1.00 26.46 ATOM 88 O THR 66 6.829 39.416 14.990 1.00 27.05 ATOM 89 N ILE 67 5.654 37.521 14.746 1.00 26.09 ATOM 90 CA ILE 67 5.819 37.110 16.151 1.00 25.88 ATOM 91 CB ILE 67 4.439 36.948 16.853 1.00 27.19 ATOM 92 CG1 ILE 67 3.680 38.280 16.894 1.00 26.17 ATOM 93 CD1 ILE 67 2.275 37.999 17.230 1.00 28.34 ATOM 94 CG2 ILE 67 4.609 36.554 18.301 1.00 27.68 ATOM 95 C ILE 67 6.544 35.791 16.217 1.00 25.12 ATOM 96 O ILE 67 6.210 34.852 15.485 1.00 23.17 ATOM 97 N TYR 68 7.580 35.740 17.047 1.00 25.62 ATOM 98 CA TYR 68 8.349 34.489 17.304 1.00 25.42 ATOM 99 CB TYR 68 9.846 34.742 17.175 1.00 24.80 ATOM 100 CG TYR 68 10.216 35.263 15.782 1.00 28.39 ATOM 101 CD1 TYR 68 10.358 36.635 15.557 1.00 23.93 ATOM 102 CE1 TYR 68 10.641 37.129 14.313 1.00 29.14 ATOM 103 CZ TYR 68 10.815 36.239 13.225 1.00 31.13 ATOM 104 OH TYR 68 11.139 36.764 11.975 1.00 29.59 ATOM 105 CE2 TYR 68 10.669 34.875 13.412 1.00 30.72 ATOM 106 CD2 TYR 68 10.386 34.384 14.695 1.00 25.51 ATOM 107 C TYR 68 8.032 33.953 18.704 1.00 25.82 ATOM 108 O TYR 68 8.297 34.631 19.684 1.00 26.19 ATOM 109 N VAL 78 1.156 23.155 22.701 1.00 36.61 ATOM 110 CA VAL 78 0.051 23.804 21.960 1.00 35.17 ATOM 111 CB VAL 78 0.110 25.366 21.955 1.00 36.02 ATOM 112 CG1 VAL 78 1.423 25.891 21.349 1.00 36.14 ATOM 113 CG2 VAL 78 −1.098 25.974 21.228 1.00 33.46 ATOM 114 C VAL 78 −0.056 23.246 20.537 1.00 35.32 ATOM 115 O VAL 78 0.952 22.940 19.878 1.00 33.32 ATOM 116 N GLU 79 −1.299 23.132 20.084 1.00 35.31 ATOM 117 CA GLU 79 −1.584 22.611 18.788 1.00 35.07 ATOM 118 CB GLU 79 −2.944 21.906 18.834 1.00 35.69 ATOM 119 CG GLU 79 −3.207 21.034 17.587 1.00 40.72 ATOM 120 CD GLU 79 −3.716 21.830 16.403 1.00 45.36 ATOM 121 OE1 GLU 79 −4.736 22.551 16.573 1.00 47.59 ATOM 122 OE2 GLU 79 −3.103 21.725 15.301 1.00 47.64 ATOM 123 C GLU 79 −1.555 23.792 17.819 1.00 33.69 ATOM 124 O GLU 79 −2.202 24.797 18.054 1.00 31.63 ATOM 125 N SER 80 −0.773 23.659 16.743 1.00 33.31 ATOM 126 CA SER 80 −0.626 24.679 15.691 1.00 33.28 ATOM 127 CB SER 80 0.021 24.059 14.496 1.00 33.95 ATOM 128 OG SER 80 1.225 23.483 14.928 1.00 40.59 ATOM 129 C SER 80 −1.842 25.355 15.138 1.00 33.46 ATOM 130 O SER 80 −1.865 26.600 15.044 1.00 33.68 ATOM 131 N LYS 81 −2.821 24.553 14.689 1.00 33.65 ATOM 132 CA LYS 81 −3.991 25.115 14.082 1.00 34.76 ATOM 133 CB LYS 81 −4.921 24.047 13.541 1.00 35.65 ATOM 134 CG LYS 81 −6.297 24.607 12.985 1.00 39.18 ATOM 135 CD LYS 81 −7.212 23.473 12.479 1.00 39.66 ATOM 136 CE LYS 81 −6.411 22.451 11.558 1.00 48.39 ATOM 137 NZ LYS 81 −7.178 21.202 11.039 1.00 47.55 ATOM 138 C LYS 81 −4.705 25.957 15.108 1.00 33.64 ATOM 139 O LYS 81 −5.242 27.017 14.759 1.00 33.95 ATOM 140 N SER 82 −4.698 25.507 16.375 1.00 32.20 ATOM 141 CA SER 82 −5.380 26.28 17.407 1.00 30.55 ATOM 142 CB SER 82 −5.617 25.478 18.701 1.00 30.70 ATOM 143 OG SER 82 −4.432 25.241 19.453 1.00 29.50 ATOM 144 C SER 82 −4.644 27.601 17.669 1.00 29.19 ATOM 145 O SER 82 −5.258 28.646 17.849 1.00 27.98 ATOM 146 N LEU 83 −3.329 27.543 17.676 1.00 28.73 ATOM 147 CA LEU 83 −2.548 28.761 17.749 1.00 29.29 ATOM 148 CB LEU 83 −1.055 28.384 17.815 1.00 30.66 ATOM 149 CG LEU 83 −0.296 29.708 17.889 1.00 28.90 ATOM 150 CD1 LEU 83 −0.611 30.422 19.214 1.00 26.97 ATOM 151 CD2 LEU 83 1.149 29.445 17.690 1.00 25.69 ATOM 152 C LEU 83 −2.870 29.744 16.572 1.00 29.47 ATOM 153 O LEU 83 −3.168 30.941 16.797 1.00 28.25 ATOM 154 N LYS 84 −2.921 29.223 15.336 1.00 29.53 ATOM 155 CA LYS 84 −3.313 30.056 14.205 1.00 29.62 ATOM 156 CB LYS 84 −3.217 29.274 12.893 1.00 30.52 ATOM 157 CG LYS 84 −3.972 29.888 11.707 1.00 33.47 ATOM 158 CD LYS 84 −4.266 28.844 10.637 1.00 38.12 ATOM 159 CE LYS 84 −5.650 28.275 10.827 1.00 42.09 ATOM 160 NZ LYS 84 −6.014 27.397 9.687 1.00 45.75 ATOM 161 C LYS 84 −4.677 30.735 14.370 1.00 29.83 ATOM 162 O LYS 84 −4.838 31.939 14.130 1.00 28.57 ATOM 163 N LEU 85 −5.681 29.976 14.780 1.00 30.73 ATOM 164 CA LEU 85 −7.015 30.608 14.980 1.00 31.39 ATOM 165 CB LEU 85 −8.085 29.555 15.241 1.00 32.27 ATOM 166 CG LEU 85 −8.130 28.457 14.200 1.00 34.28 ATOM 167 CD1 LEU 85 −8.958 27.262 14.722 1.00 36.91 ATOM 168 CD2 LEU 85 −8.732 29.143 12.958 1.00 35.13 ATOM 169 C LEU 85 −6.991 31.603 16.132 1.00 30.61 ATOM 170 O LEU 85 −7.642 32.659 16.110 1.00 31.60 ATOM 171 N TYR 86 −6.230 31.266 17.143 1.00 30.00 ATOM 172 CA TYR 86 −6.030 32.184 18.243 1.00 30.34 ATOM 173 CB TYR 86 −5.151 31.534 19.311 1.00 29.45 ATOM 174 CG TYR 86 −4.787 32.481 20.378 1.00 28.30 ATOM 175 CD1 TYR 86 −5.769 33.034 21.231 1.00 25.94 ATOM 176 CE1 TYR 86 −5.381 33.976 22.295 1.00 26.67 ATOM 177 CZ TYR 86 −4.003 34.279 22.458 1.00 27.51 ATOM 178 OH TYR 86 −3.544 35.189 23.393 1.00 30.54 ATOM 179 CE2 TYR 86 −3.047 33.694 21.630 1.00 28.71 ATOM 180 CD2 TYR 86 −3.456 32.815 20.573 1.00 29.33 ATOM 181 C TYR 86 −5.454 33.528 17.785 1.00 29.86 ATOM 182 O TYR 86 −5.988 34.578 18.107 1.00 30.59 ATOM 183 N LEU 87 −4.345 33.491 17.056 1.00 30.90 ATOM 184 CA LEU 87 −3.739 34.716 16.504 1.00 29.69 ATOM 185 CB LEU 87 −2.406 34.397 15.844 1.00 29.57 ATOM 186 CG LEU 87 −1.341 33.881 16.831 1.00 29.35 ATOM 187 CD1 LEU 87 −0.060 33.751 16.088 1.00 26.50 ATOM 188 CD2 LEU 87 −1.138 34.780 18.072 1.00 22.21 ATOM 189 C LEU 87 −4.667 35.392 15.540 1.00 29.49 ATOM 190 O LEU 87 −4.741 36.615 15.518 1.00 29.08 ATOM 191 N PHE 88 −5.422 34.610 14.763 1.00 31.41 ATOM 192 CA PHE 88 −6.451 35.212 13.893 1.00 33.88 ATOM 193 CB PHE 88 −7.140 34.175 12.971 1.00 36.10 ATOM 194 CG PHE 88 −6.282 33.770 11.731 1.00 37.70 ATOM 195 CD1 PHE 88 −6.602 32.633 10.979 1.00 38.15 ATOM 196 CE1 PHE 88 −5.804 32.255 9.892 1.00 37.93 ATOM 197 CZ PHE 88 −4.657 33.023 9.525 1.00 39.92 ATOM 198 CE2 PHE 88 −4.312 34.157 10.250 1.00 38.80 ATOM 199 CD2 PHE 88 −5.131 34.517 11.371 1.00 40.71 ATOM 200 C PHE 88 −7.501 36.008 14.662 1.00 33.94 ATOM 201 O PHE 88 −8.033 36.970 14.107 1.00 34.36 ATOM 202 N SER 89 −7.768 35.638 15.938 1.00 32.64 ATOM 203 CA SER 89 −8.811 36.309 16.721 1.00 32.27 ATOM 204 CB SER 89 −9.280 35.421 17.889 1.00 31.84 ATOM 205 OG SER 89 −8.350 35.463 18.968 1.00 32.07 ATOM 206 C SER 89 −8.405 37.716 17.208 1.00 32.06 ATOM 207 O SER 89 −9.194 38.435 17.835 1.00 32.05 ATOM 208 N LYS 122 7.565 41.780 16.334 1.00 24.36 ATOM 209 CA LYS 122 8.356 42.708 15.507 1.00 23.32 ATOM 210 CB LYS 122 9.464 41.954 14.742 1.00 23.06 ATOM 211 CG LYS 122 10.642 41.528 15.686 1.00 24.84 ATOM 212 CD LYS 122 11.690 40.740 14.927 1.00 25.66 ATOM 213 CE LYS 122 12.973 40.581 15.714 1.00 30.58 ATOM 214 NZ LYS 122 14.080 40.258 14.755 1.00 28.48 ATOM 215 C LYS 122 7.436 43.404 14.573 1.00 23.02 ATOM 216 O LYS 122 7.165 42.933 13.491 1.00 21.33 ATOM 217 N ILE 162 17.614 48.303 11.131 1.00 34.11 ATOM 218 CA ILE 162 16.251 48.557 10.697 1.00 35.37 ATOM 219 CB ILE 162 15.251 48.647 11.867 1.00 33.88 ATOM 220 CG1 ILE 162 15.099 47.311 12.546 1.00 34.92 ATOM 221 CD1 ILE 162 14.500 46.216 11.657 1.00 33.57 ATOM 222 CG2 ILE 162 13.875 49.124 11.377 1.00 35.20 ATOM 223 C ILE 162 16.293 49.922 10.020 1.00 36.65 ATOM 224 O ILE 162 16.908 50.846 10.540 1.00 36.63 ATOM 225 O3S G6S 202 −6.417 25.426 0.711 1.00 0.87 ATOM 226 S G6S 202 −5.861 24.491 1.721 1.00 0.84 ATOM 227 O1S G6S 202 −4.394 24.699 1.720 1.00 0.00 ATOM 228 O2S G6S 202 −6.128 23.096 1.294 1.00 0.46 ATOM 229 O6 G6S 202 −6.514 24.717 3.235 1.00 0.15 ATOM 230 C6 G6S 202 −6.407 23.744 4.298 1.00 0.76 ATOM 231 C5 G6S 202 −5.815 24.269 5.632 1.00 0.20 ATOM 232 O5 G6S 202 −5.455 25.669 5.607 1.00 0.47 ATOM 233 C4 G6S 202 −4.654 23.396 6.182 1.00 0.65 ATOM 234 O4 G6S 202 −4.830 22.013 5.790 1.00 0.12 ATOM 235 C3 G6S 202 −3.205 23.860 5.851 1.00 0.92 ATOM 236 O3 G6S 202 −2.631 23.077 4.786 1.00 0.71 ATOM 237 C2 G6S 202 −3.039 25.370 5.570 1.00 0.85 ATOM 238 O2 G6S 202 −1.849 25.641 4.806 1.00 0.58 ATOM 239 Cl G6S 202 −4.258 25.980 4.878 1.00 0.56 ATOM 240 O1 G6S 202 −4.113 27.396 4.800 1.00 0.12 ATOM 241 N THR 124 8.162 23.859 6.927 1.00 28.52 ATOM 242 CA THR 124 7.515 24.851 6.071 1.00 28.16 ATOM 243 CB THR 124 7.359 24.295 4.602 1.00 28.66 ATOM 244 OG1 THR 124 6.538 23.105 4.602 1.00 24.86 ATOM 245 CG2 THR 124 8.781 23.937 3.994 1.00 25.85 ATOM 246 C THR 124 6.141 25.208 6.709 1.00 29.59 ATOM 247 O THR 124 5.563 24.383 7.435 1.00 29.24 ATOM 248 N PRO 125 5.639 26.436 6.465 1.00 29.30 ATOM 249 CA PRO 125 4.483 26.768 7.217 1.00 30.23 ATOM 250 CB PRO 125 4.366 28.303 7.045 1.00 29.73 ATOM 251 CG PRO 125 4.979 28.581 5.715 1.00 29.08 ATOM 252 CD PRO 125 6.111 27.571 5.627 1.00 28.72 ATOM 253 C PRO 125 3.218 26.060 6.795 1.00 31.25 ATOM 254 O PRO 125 3.157 25.505 5.708 1.00 31.50 ATOM 255 N ARG 126 2.239 26.059 7.705 1.00 32.08 ATOM 256 CA ARG 126 0.853 25.532 7.490 1.00 33.66 ATOM 257 CB ARG 126 0.642 24.193 8.230 1.00 33.84 ATOM 258 CG ARG 126 0.745 22.919 7.428 1.00 40.80 ATOM 259 CD ARG 126 1.893 23.006 6.433 1.00 49.19 ATOM 260 NE ARG 126 1.976 21.898 5.465 1.00 53.43 ATOM 261 CZ ARG 126 2.355 22.055 4.194 1.00 54.41 ATOM 262 NH1 ARG 126 2.632 23.272 3.728 1.00 52.21 ATOM 263 NH2 ARG 126 2.429 20.998 3.386 1.00 55.80 ATOM 264 C ARG 126 −0.021 26.560 8.163 1.00 32.80 ATOM 265 O ARG 126 0.160 26.857 9.338 1.00 32.63 ATOM 266 N GLY 127 −0.945 27.141 7.445 1.00 32.28 ATOM 267 CA GLY 127 −1.814 28.067 8.064 1.00 33.33 ATOM 268 C GLY 127 −1.073 29.335 8.406 1.00 33.71 ATOM 269 O GLY 127 −1.587 30.135 9.168 1.00 36.24 ATOM 270 N GLY 128 0.134 29.522 7.865 1.00 33.07 ATOM 271 CA GLY 128 0.871 30.783 8.003 1.00 31.01 ATOM 272 C GLY 128 1.919 30.731 9.089 1.00 30.37 ATOM 273 O GLY 128 2.636 31.685 9.315 1.00 29.97 ATOM 274 N ILE 129 2.040 29.580 9.720 1.00 30.13 ATOM 275 CA ILE 129 2.834 29.438 10.920 1.00 30.80 ATOM 276 CB ILE 129 1.846 29.137 12.140 1.00 31.06 ATOM 277 CG1 ILE 129 1.178 30.432 12.588 1.00 31.42 ATOM 278 CD1 ILE 129 0.149 30.230 13.677 1.00 31.28 ATOM 279 CG2 ILE 129 2.537 28.447 13.309 1.00 30.12 ATOM 280 C ILE 129 3.782 28.259 10.679 1.00 30.22 ATOM 281 O ILE 129 3.322 27.210 10.335 1.00 29.71 ATOM 282 N SER 130 5.088 28.440 10.887 1.00 29.49 ATOM 283 CA SER 130 6.016 27.356 10.767 1.00 29.39 ATOM 284 CB SER 130 7.180 27.700 9.824 1.00 29.82 ATOM 285 OG SER 130 7.707 28.994 10.093 1.00 33.34 ATOM 286 C SER 130 6.585 27.028 12.117 1.00 28.67 ATOM 287 O SER 130 6.692 27.882 12.993 1.00 28.81 ATOM 288 N ILE 131 7.011 25.792 12.255 1.00 28.29 ATOM 289 CA ILE 131 7.371 25.258 13.543 1.00 28.60 ATOM 290 CB ILE 131 6.533 24.026 13.875 1.00 28.00 ATOM 291 CG1 ILE 131 5.053 24.371 13.948 1.00 29.12 ATOM 292 CD1 ILE 131 4.241 23.189 14.520 1.00 31.67 ATOM 293 CG2 ILE 131 6.933 23.476 15.240 1.00 30.30 ATOM 294 C ILE 131 8.761 24.761 13.484 1.00 28.51 ATOM 295 O ILE 131 9.032 23.907 12.665 1.00 30.21 ATOM 296 N ASP 132 9.644 25.222 14.361 1.00 28.50 ATOM 297 CA ASP 132 11.010 24.737 14.331 1.00 28.58 ATOM 298 CB ASP 132 11.974 25.881 13.980 1.00 28.59 ATOM 299 CG ASP 132 11.600 26.633 12.681 1.00 32.67 ATOM 300 OD1 ASP 132 10.792 26.091 11.853 1.00 33.13 ATOM 301 OD2 ASP 132 12.147 27.766 12.479 1.00 30.84 ATOM 302 C ASP 132 11.444 24.137 15.663 1.00 28.06 ATOM 303 O ASP 132 12.013 24.854 16.495 1.00 29.94 ATOM 304 N PRO 159 16.415 34.976 16.589 1.00 31.26 ATOM 305 CA PRO 159 15.685 34.175 15.627 1.00 30.51 ATOM 306 CB PRO 159 14.218 34.258 16.123 1.00 30.21 ATOM 307 CG PRO 159 14.295 34.833 17.551 1.00 31.97 ATOM 308 CD PRO 159 15.537 35.672 17.548 1.00 31.36 ATOM 309 C PRO 159 15.732 34.728 14.195 1.00 30.10 ATOM 310 O PRO 159 15.500 35.904 13.987 1.00 29.37 ATOM 311 N GLU 160 15.986 33.868 13.216 1.00 30.16 ATOM 312 CA GLU 160 16.056 34.287 11.808 1.00 32.04 ATOM 313 CB GLU 160 16.394 33.069 10.935 1.00 30.18 ATOM 314 CG GLU 160 15.200 32.081 10.771 1.00 34.46 ATOM 315 CD GLU 160 15.572 30.767 10.043 1.00 35.57 ATOM 316 OE1 GLU 160 16.665 30.687 9.481 1.00 41.25 ATOM 317 OE2 GLU 160 14.777 29.801 10.036 1.00 41.34 ATOM 318 C GLU 160 14.753 34.982 11.337 1.00 30.49 ATOM 319 O GLU 160 13.656 34.622 11.783 1.00 31.95 ATOM 320 N THR 161 14.864 35.989 10.481 1.00 29.64 ATOM 321 CA THR 161 13.670 36.585 9.878 1.00 29.93 ATOM 322 CB THR 161 14.010 37.825 9.073 1.00 29.91 ATOM 323 OG1 THR 161 14.709 38.699 9.931 1.00 31.93 ATOM 324 CG2 THR 161 12.784 38.579 8.601 1.00 30.92 ATOM 325 C THR 161 12.960 35.585 8.987 1.00 29.45 ATOM 326 O THR 161 13.597 34.923 8.182 1.00 26.77 ATOM 327 N ILE 162 11.662 35.432 9.220 1.00 29.30 ATOM 328 CA ILE 162 10.844 34.548 8.451 1.00 30.78 ATOM 329 CB ILE 162 10.290 33.390 9.320 1.00 30.32 ATOM 330 CG1 ILE 162 11.436 32.471 9.806 1.00 32.82 ATOM 331 CD1 ILE 162 12.167 31.571 8.744 1.00 30.34 ATOM 332 CG2 ILE 162 9.195 32.625 8.587 1.00 29.66 ATOM 333 C ILE 162 9.657 35.351 7.921 1.00 31.75 ATOM 334 O ILE 162 9.051 36.113 8.690 1.00 31.45 ATOM 335 N ASP 163 9.345 35.185 6.626 1.00 32.01 ATOM 336 CA ASP 163 8.215 35.871 5.970 1.00 33.79 ATOM 337 CB ASP 163 8.697 37.063 5.098 1.00 34.23 ATOM 338 CG ASP 163 9.591 36.629 3.921 1.00 36.10 ATOM 339 OD1 ASP 163 9.955 35.407 3.834 1.00 36.53 ATOM 340 OD2 ASP 163 9.956 37.510 3.082 1.00 34.45 ATOM 341 C ASP 163 7.338 34.926 5.136 1.00 34.13 ATOM 342 O ASP 163 6.446 35.373 4.435 1.00 34.59 ATOM 343 N ASN 164 7.610 33.624 5.211 1.00 33.87 ATOM 344 CA ASN 164 6.874 32.623 4.447 1.00 34.28 ATOM 345 CB ASN 164 5.360 32.640 4.769 1.00 32.50 ATOM 346 CG ASN 164 5.033 32.212 6.207 1.00 32.82 ATOM 347 OD1 ASN 164 5.896 31.709 6.951 1.00 30.94 ATOM 348 ND2 ASN 164 3.768 32.423 6.602 1.00 29.12 ATOM 349 C ASN 164 7.084 32.642 2.912 1.00 34.97 ATOM 350 O ASN 164 6.322 32.009 2.191 1.00 35.11 ATOM 351 O6 GDQ 201 32.296 10.635 4.524 1.00 46.27 ATOM 352 C6 GDQ 201 31.248 9.917 5.035 1.00 47.77 ATOM 353 N1 GDQ 201 30.797 10.050 6.323 1.00 47.90 ATOM 354 C5 GDQ 201 30.614 8.990 4.235 1.00 48.17 ATOM 355 C7 GDQ 201 30.698 8.536 2.936 1.00 49.49 ATOM 356 C77 GDQ 201 31.612 8.969 2.073 1.00 48.63 ATOM 357 N77 GDQ 201 32.516 9.322 1.359 1.00 53.62 ATOM 358 C8 GDQ 201 29.759 7.552 2.635 1.00 47.67 ATOM 359 N9 GDQ 201 29.054 7.399 3.791 1.00 46.70 ATOM 360 C4 GDQ 201 29.559 8.251 4.732 1.00 47.89 ATOM 361 N3 GDQ 201 29.132 8.401 6.010 1.00 47.83 ATOM 362 C2 GDQ 201 29.744 9.300 6.809 1.00 48.19 ATOM 363 N2 GDQ 201 29.279 9.410 8.086 1.00 46.97 ATOM 364 O HOH 15 12.739 32.238 13.145 1.00 22.43 ATOM 365 O HOH 22 1.326 33.883 11.230 1.00 32.23 ATOM 366 O HOH 26 16.791 31.46 114.101 1.00 27.14 ATOM 367 O HOH 54 5.461 21.483 6.512 1.00 43.09 ATOM 368 O HOH 56 14.379 28.163 13.181 1.00 40.09 ATOM 369 O HOH 59 7.756 42.618 11.083 1.00 31.40 ATOM 370 O HOH 64 5.460 23.872 10.260 1.00 28.09 ATOM 371 O HOH 83 −1.320 26.055 11.602 1.00 34.38 ATOM 372 O HOH 87 11.302 39.575 11.622 1.00 32.69 ATOM 373 O HOH 163 1.011 28.587 5.176 1.00 33.75 ATOM 374 O HOH 172 2.688 24.876 11.423 1.00 32.80 ATOM 375 O HOH 195 −4.034 24.942 9.104 1.00 49.16 ATOM 376 O HOH 222 −1.338 32.478 10.369 1.00 44.82 ATOM 377 O HOH 250 8.468 38.509 8.716 1.00 43.13 ATOM 378 N VAL 45 −0.428 34.615 −13.880 1.00 29.60 ATOM 379 CA VAL 45 −0.613 34.033 −12.573 1.00 28.86 ATOM 380 CB VAL 45 −1.922 33.297 −12.471 1.00 31.08 ATOM 381 CG1 VAL 45 −3.110 34.214 −12.950 1.00 28.95 ATOM 382 CG2 VAL 45 −2.16 132.868 −10.989 1.00 31.47 ATOM 383 C VAL 45 0.496 33.050 −12.414 1.00 28.57 ATOM 384 O VAL 45 0.614 32.125 −13.233 1.00 28.70 ATOM 385 N LYS 46 1.341 33.287 −11.401 1.00 26.60 ATOM 386 CA LYS 46 2.386 32.367 −10.999 1.00 26.09 ATOM 387 CB LYS 46 3.707 33.101 −10.733 1.00 24.81 ATOM 388 CG LYS 46 4.870 32.134 −10.364 1.00 26.07 ATOM 389 CD LYS 46 6.255 32.748 −10.379 1.00 26.57 ATOM 390 CE LYS 46 6.296 34.153 −9.679 1.00 33.60 ATOM 391 NZ LYS 46 7.742 34.567 −9.412 1.00 35.91 ATOM 392 C LYS 46 2.009 31.548 −9.718 1.00 25.98 ATOM 393 O LYS 46 1.562 32.117 −8.720 1.00 25.25 ATOM 394 N PHE 47 2.226 30.224 −9.763 1.00 25.69 ATOM 395 CA PHE 47 2.331 29.387 −8.552 1.00 25.78 ATOM 396 CB PHE 47 1.475 28.130 −8.700 1.00 26.07 ATOM 397 CG PHE 47 0.043 28.444 −9.035 1.00 25.38 ATOM 398 CD1 PHE 47 −0.331 28.682 −10.352 1.00 29.07 ATOM 399 CE1 PHE 47 −1.698 29.020 −10.678 1.00 29.50 ATOM 400 CZ PHE 47 −2.640 29.125 −9.652 1.00 26.40 ATOM 401 CE2 PHE 47 −2.262 28.907 −8.358 1.00 24.93 ATOM 402 CD2 PHE 47 −0.92 228.563 −8.042 1.00 27.19 ATOM 403 C PHE 47 3.755 29.001 −8.240 1.00 26.50 ATOM 404 O PHE 47 4.449 28.416 −9.088 1.00 26.93 ATOM 405 N ASN 48 4.179 29.320 −7.021 1.00 26.28 ATOM 406 CA ASN 48 5.450 28.863 −6.455 1.00 26.70 ATOM 407 CB ASN 48 5.990 29.921 −5.530 1.00 26.63 ATOM 408 CG ASN 48 6.129 31.290 −6.193 1.00 27.75 ATOM 409 OD1 ASN 48 6.845 31.422 −7.179 1.00 26.90 ATOM 410 ND2 ASN 48 5.482 32.309 −5.633 1.00 21.97 ATOM 411 C ASN 48 5.180 27.619 −5.641 1.00 27.42 ATOM 412 O ASN 48 4.383 27.667 −4.672 1.00 27.74 ATOM 413 N CYS 49 5.801 26.502 −6.022 1.00 27.81 ATOM 414 CA CYS 49 5.512 25.182 −5.444 1.00 27.79 ATOM 415 CB CYS 49 4.824 24.261 −6.442 1.00 27.88 ATOM 416 SG CYS 49 3.489 25.101 −7.349 1.00 33.42 ATOM 417 C CYS 49 6.784 24.544 −4.960 1.00 27.42 ATOM 418 O CYS 49 7.248 23.644 −5.563 1.00 27.36 ATOM 419 N PRO 50 7.333 25.007 −3.819 1.00 28.25 ATOM 420 CA PRO 50 8.562 24.469 −3.295 1.00 28.95 ATOM 421 CB PRO 50 9.020 25.556 −2.333 1.00 28.68 ATOM 422 CG PRO 50 7.784 26.117 −1.868 1.00 29.66 ATOM 423 CD PRO 50 6.802 26.070 −2.952 1.00 27.22 ATOM 424 C PRO 50 8.388 23.118 −2.571 1.00 30.16 ATOM 425 O PRO 50 9.370 22.519 −2.146 1.00 30.23 ATOM 426 N GLU 51 7.180 22.566 −2.506 1.00 30.75 ATOM 427 CA GLU 51 7.084 21.267 −1.832 1.00 30.88 ATOM 428 CB GLU 51 5.969 21.317 −0.770 1.00 30.96 ATOM 429 CG GLU 51 6.448 22.205 0.398 1.00 30.27 ATOM 430 CD GLU 51 5.343 22.646 1.336 1.00 34.08 ATOM 431 OE1 GLU 51 4.195 22.157 1.229 1.00 37.55 ATOM 432 OE2 GLU 51 5.618 23.523 2.163 1.00 33.25 ATOM 433 C GLU 51 7.003 20.038 −2.717 1.00 31.31 ATOM 434 O GLU 51 6.656 18.955 −2.253 1.00 32.45 ATOM 435 N PHE 52 7.330 20.172 −3.999 1.00 30.57 ATOM 436 CA PHE 52 7.115 19.057 −4.901 1.00 29.32 ATOM 437 CB PHE 52 7.335 19.473 −6.352 1.00 29.38 ATOM 438 CG PHE 52 7.031 18.379 −7.317 1.00 28.90 ATOM 439 CD1 PHE 52 5.710 18.132 −7.694 1.00 25.64 ATOM 440 CE1 PHE 52 5.418 17.123 −8.596 1.00 26.75 ATOM 441 CZ PHE 52 6.428 16.306 −9.069 1.00 25.36 ATOM 442 CE2 PHE 52 7.761 16.528 −8.677 1.00 28.36 ATOM 443 CD2 PHE 52 8.053 17.550 −7.797 1.00 26.05 ATOM 444 C PHE 52 8.028 17.908 −4.571 1.00 29.42 ATOM 445 O PHE 52 9.190 18.137 −4.241 1.00 29.42 ATOM 446 N ALA 65 11.702 19.079 −5.722 1.00 26.33 ATOM 447 CA ALA 65 11.841 20.200 −6.558 1.00 25.69 ATOM 448 CB ALA 65 11.395 19.803 −8.065 1.00 24.22 ATOM 449 C ALA 65 11.015 21.374 −6.057 1.00 25.67 ATOM 450 O ALA 65 10.082 21.217 −5.287 1.00 26.66 ATOM 451 N THR 66 11.367 22.550 −6.530 1.00 25.39 ATOM 452 CA THR 66 10.494 23.699 −6.552 1.00 27.61 ATOM 453 CB THR 66 11.255 24.947 −6.171 1.00 27.25 ATOM 454 OG1 THR 66 11.651 24.821 −4.818 1.00 30.69 ATOM 455 CG2 THR 66 10.371 26.147 −6.236 1.00 31.40 ATOM 456 C THR 66 10.014 23.853 −7.998 1.00 28.30 ATOM 457 O THR 66 10.811 23.853 −8.951 1.00 28.10 ATOM 458 N ILE 67 8.713 23.994 −8.164 1.00 28.94 ATOM 459 CA ILE 67 8.150 24.189 −9.492 1.00 28.94 ATOM 460 CB ILE 67 7.093 23.079 −9.743 1.00 29.43 ATOM 461 CG1 ILE 67 7.799 21.726 −9.628 1.00 28.57 ATOM 462 CD1 ILE 67 6.888 20.606 −9.787 1.00 29.91 ATOM 463 CG2 ILE 67 6.385 23.253 −11.087 1.00 29.92 ATOM 464 C ILE 67 7.571 25.570 −9.525 1.00 28.85 ATOM 465 O ILE 67 6.967 25.978 −8.528 1.00 29.21 ATOM 466 N TYR 68 7.778 26.298 −10.635 1.00 28.85 ATOM 467 CA TYR 68 7.207 27.622 −10.875 1.00 27.65 ATOM 468 CB TYR 68 8.280 28.685 −11.114 1.00 28.00 ATOM 469 CG TYR 68 9.264 28.778 −9.962 1.00 27.25 ATOM 470 CD1 TYR 68 10.475 28.092 −9.975 1.00 23.97 ATOM 471 CE1 TYR 68 11.382 28.187 −8.875 1.00 28.38 ATOM 472 CZ TYR 68 10.998 28.939 −7.745 1.00 28.49 ATOM 473 OH TYR 68 11.777 29.080 −6.599 1.00 26.21 ATOM 474 CE2 TYR 68 9.759 29.598 −7.732 1.00 29.17 ATOM 475 CD2 TYR 68 8.923 29.525 −8.807 1.00 27.85 ATOM 476 C TYR 68 6.312 27.440 −12.086 1.00 29.20 ATOM 477 O TYR 68 6.779 26.982 −13.159 1.00 29.47 ATOM 478 N ILE 69 5.023 27.732 −11.908 1.00 28.12 ATOM 479 CA ILE 69 4.072 27.481 −12.947 1.00 28.68 ATOM 480 CB ILE 69 2.958 26.506 −12.556 1.00 29.11 ATOM 481 CG1 ILE 69 3.508 25.141 −12.131 1.00 30.41 ATOM 482 CD1 ILE 69 2.383 24.193 −11.740 1.00 32.90 ATOM 483 CG2 ILE 69 2.045 26.288 −13.755 1.00 27.69 ATOM 484 C ILE 69 3.415 28.817 −13.191 1.00 28.58 ATOM 485 O ILE 69 2.761 29.354 −12.287 1.00 29.06 ATOM 486 N GLU 79 −7.804 26.045 −9.570 1.00 38.71 ATOM 487 CA GLU 79 −8.009 26.274 −8.147 1.00 39.26 ATOM 488 CB GLU 79 −9.313 25.615 −7.675 1.00 39.82 ATOM 489 CG GLU 79 −9.912 26.214 −6.377 1.00 41.73 ATOM 490 CD GLU 79 −9.108 25.821 −5.134 1.00 44.42 ATOM 491 OE1 GLU 79 −8.850 24.602 −4.995 1.00 45.96 ATOM 492 OE2 GLU 79 −8.696 26.716 −4.330 1.00 43.13 ATOM 493 C GLU 79 −6.771 25.839 −7.361 1.00 39.15 ATOM 494 O GLU 79 −6.247 24.734 −7.544 1.00 39.58 ATOM 495 N SER 80 −6.279 26.731 −6.506 1.00 39.14 ATOM 496 CA SER 80 −5.045 26.494 −5.757 1.00 40.45 ATOM 497 CB SER 80 −4.765 27.669 −4.813 1.00 40.98 ATOM 498 OG SER 80 −3.464 27.520 −4.263 1.00 43.76 ATOM 499 C SER 80 −4.991 25.191 −4.969 1.00 39.97 ATOM 500 O SER 80 −3.961 24.518 −4.946 1.00 40.91 ATOM 501 N LYS 81 −6.084 24.856 −4.285 1.00 40.44 ATOM 502 CA LYS 81 −6.127 23.672 −3.434 1.00 39.60 ATOM 503 CB LYS 81 −7.283 23.776 −2.421 1.00 40.23 ATOM 504 CG LYS 81 −7.534 22.468 −1.552 1.00 41.71 ATOM 505 CD LYS 81 −8.738 22.613 −0.562 1.00 43.35 ATOM 506 CE LYS 81 −10.088 22.088 −1.110 1.00 51.29 ATOM 507 NZ LYS 81 −10.250 20.577 −0.924 1.00 51.65 ATOM 508 C LYS 81 −6.185 22.404 −4.278 1.00 37.68 ATOM 509 O LYS 81 −5.493 21.424 −3.950 1.00 36.22 ATOM 510 N SER 82 −6.933 22.427 −5.394 1.00 36.37 ATOM 511 CA SER 82 −6.869 21.290 −6.342 1.00 36.60 ATOM 512 CB SER 82 −7.876 21.413 −7.500 1.00 37.83 ATOM 513 OG SER 82 −7.629 22.506 −8.389 1.00 38.89 ATOM 514 C SER 82 −5.447 21.041 −6.860 1.00 36.09 ATOM 515 O SER 82 −4.966 19.871 −6.863 1.00 35.12 ATOM 516 N LEU 83 −4.768 22.142 −7.220 1.00 34.52 ATOM 517 CA LEU 83 −3.351 22.094 −7.632 1.00 34.68 ATOM 518 CB LEU 83 −2.818 23.488 −8.037 1.00 34.38 ATOM 519 CG LEU 83 −1.408 23.517 −8.675 1.00 35.18 ATOM 520 CD1 LEU 83 −1.262 22.564 −9.928 1.00 28.46 ATOM 521 CD2 LEU 83 −1.000 24.951 −8.990 1.00 33.77 ATOM 522 C LEU 83 −2.441 21.449 −6.596 1.00 34.51 ATOM 523 O LEU 83 −1.563 20.650 −6.920 1.00 33.59 ATOM 524 N LYS 84 −2.663 21.805 −5.340 1.00 35.31 ATOM 525 CA LYS 84 −1.933 21.244 −4.241 1.00 35.99 ATOM 526 CB LYS 84 −2.400 21.935 −2.946 1.00 35.66 ATOM 527 CG LYS 84 −1.943 21.284 −1.673 1.00 37.97 ATOM 528 CD LYS 84 −2.708 21.894 −0.461 1.00 37.55 ATOM 529 CE LYS 84 −3.851 21.001 −0.020 1.00 39.56 ATOM 530 NZ LYS 84 −4.292 21.228 1.391 1.00 41.94 ATOM 531 C LYS 84 −2.167 19.743 −4.207 1.00 36.20 ATOM 532 O LYS 84 −1.216 18.953 −4.139 1.00 36.55 ATOM 533 N LEU 85 −3.433 19.345 −4.278 1.00 36.49 ATOM 534 CA LEU 85 −3.789 17.941 −4.349 1.00 36.64 ATOM 535 CB LEU 85 −5.319 17.806 −4.349 1.00 36.98 ATOM 536 CG LEU 85 −6.191 17.803 −3.067 1.00 39.95 ATOM 537 CD1 LEU 85 −5.499 18.399 −1.833 1.00 41.97 ATOM 538 CD2 LEU 85 −7.568 18.489 −3.275 1.00 37.78 ATOM 539 C LEU 85 −3.195 17.275 −5.579 1.00 36.28 ATOM 540 O LEU 85 −2.618 16.202 −5.500 1.00 35.95 ATOM 541 N TYR 86 −3.308 17.904 −6.739 1.00 36.01 ATOM 542 CA TYR 86 −2.652 17.330 −7.917 1.00 35.20 ATOM 543 CB TYR 86 −2.896 18.243 −9.096 1.00 36.62 ATOM 544 CG TYR 86 −2.234 17.811 −10.358 1.00 38.86 ATOM 545 CD1 TYR 86 −2.556 16.584 −10.977 1.00 37.52 ATOM 546 CE1 TYR 86 −1.914 16.212 −12.173 1.00 39.96 ATOM 547 CZ TYR 86 −0.968 17.105 −12.754 1.00 39.92 ATOM 548 OH TYR 86 −0.275 16.811 −13.898 1.00 40.85 ATOM 549 CE2 TYR 86 −0.664 18.296 −12.151 1.00 38.61 ATOM 550 CD2 TYR 86 −1.290 18.644 −10.963 1.00 39.08 ATOM 551 C TYR 86 −1.160 17.092 −7.697 1.00 34.75 ATOM 552 O TYR 86 −0.622 16.003 −7.935 1.00 34.10 ATOM 553 N LEU 87 −0.455 18.089 −7.188 1.00 35.13 ATOM 554 CA LEU 87 0.984 17.876 −6.955 1.00 35.00 ATOM 555 CB LEU 87 1.728 19.185 −6.780 1.00 35.12 ATOM 556 CG LEU 87 1.595 20.223 −7.900 1.00 36.20 ATOM 557 CD1 LEU 87 2.167 21.559 −7.466 1.00 32.77 ATOM 558 CD2 LEU 87 2.267 19.733 −9.204 1.00 34.84 ATOM 559 C LEU 87 1.287 16.877 −5.842 1.00 35.54 ATOM 560 O LEU 87 2.283 16.120 −5.926 1.00 33.45 ATOM 561 N PHE 88 0.430 16.825 −4.806 1.00 37.14 ATOM 562 CA PHE 88 0.524 15.696 −3.840 1.00 38.55 ATOM 563 CB PHE 88 −0.610 15.703 −2.789 1.00 40.19 ATOM 564 CG PHE 88 −0.468 16.761 −1.719 1.00 44.41 ATOM 565 CD1 PHE 88 −1.565 17.095 −0.913 1.00 45.28 ATOM 566 CE1 PHE 88 −1.450 18.077 0.061 1.00 46.31 ATOM 567 CZ PHE 88 −0.228 18.744 0.247 1.00 45.62 ATOM 568 CE2 PHE 88 0.867 18.424 −0.548 1.00 46.65 ATOM 569 CD2 PHE 88 0.747 17.436 −1.520 1.00 46.40 ATOM 570 C PHE 88 0.457 14.356 −4.580 1.00 37.62 ATOM 571 O PHE 88 1.143 13.419 −4.218 1.00 37.12 ATOM 572 N SER 89 −0.385 14.282 −5.611 1.00 37.50 ATOM 573 CA SER 89 −0.621 13.009 −6.306 1.00 37.88 ATOM 574 CB SER 89 −1.796 13.077 −7.284 1.00 38.18 ATOM 575 OG SER 89 −1.467 13.703 −8.518 1.00 39.35 ATOM 576 C SER 89 0.624 12.448 −6.956 1.00 37.70 ATOM 577 O SER 89 0.632 11.308 −7.332 1.00 38.26 ATOM 578 N GLY 121 10.730 23.550 −13.517 1.00 24.73 ATOM 579 CA GLY 121 11.036 22.759 −12.381 1.00 25.93 ATOM 580 C GLY 121 12.512 22.825 −12.093 1.00 27.00 ATOM 581 O GLY 121 13.337 22.830 −13.011 1.00 27.37 ATOM 582 N LYS 122 12.847 22.862 −10.810 1.00 26.41 ATOM 583 CA LYS 122 14.222 22.975 −10.371 1.00 26.76 ATOM 584 CB LYS 122 14.463 24.416 −9.849 1.00 27.37 ATOM 585 CG LYS 122 14.261 25.493 −10.944 1.00 25.44 ATOM 586 CD LYS 122 14.611 26.857 −10.438 1.00 27.60 ATOM 587 CE LYS 122 14.324 27.863 −11.504 1.00 31.63 ATOM 588 NZ LYS 122 15.191 29.054 −11.424 1.00 40.28 ATOM 589 C LYS 122 14.475 21.956 −9.292 1.00 26.44 ATOM 590 O LYS 122 14.057 22.145 −8.143 1.00 27.76 ATOM 591 N PHE 123 1.500 36.690 −2.716 1.00 29.77 ATOM 592 CA PHE 123 0.769 36.191 −1.581 1.00 28.78 ATOM 593 CB PHE 123 −0.599 35.649 −1.978 1.00 27.79 ATOM 594 CG PHE 123 −1.582 36.731 −2.284 1.00 29.54 ATOM 595 CD1 PHE 123 −1.554 37.395 −3.529 1.00 26.50 ATOM 596 CE1 PHE 123 −2.423 38.425 −3.823 1.00 24.89 ATOM 597 CZ PHE 123 −3.392 38.807 −2.894 1.00 30.34 ATOM 598 CE2 PHE 123 −3.467 38.130 −1.632 1.00 31.05 ATOM 599 CD2 PHE 123 −2.546 37.104 −1.342 1.00 30.05 ATOM 600 C PHE 123 1.572 35.181 −0.841 1.00 29.23 ATOM 601 O PHE 123 2.441 34.511 −1.438 1.00 27.66 ATOM 602 N THR 124 1.306 35.097 0.484 1.00 28.92 ATOM 603 CA THR 124 1.956 34.067 1.322 1.00 28.20 ATOM 604 CB THR 124 1.935 34.451 2.857 1.00 29.27 ATOM 605 OG1 THR 124 0.582 34.504 3.280 1.00 27.12 ATOM 606 CG2 THR 124 2.594 35.831 3.133 1.00 23.99 ATOM 607 C THR 124 1.327 32.699 1.006 1.00 27.97 ATOM 608 O THR 124 0.218 32.635 0.510 1.00 28.78 ATOM 609 N PRO 125 2.078 31.607 1.199 1.00 28.21 ATOM 610 CA PRO 125 1.639 30.267 0.813 1.00 29.53 ATOM 611 CB PRO 125 2.873 29.414 1.038 1.00 28.34 ATOM 612 CG PRO 125 3.748 30.232 2.001 1.00 26.96 ATOM 613 CD PRO 125 3.468 31.625 1.698 1.00 27.65 ATOM 614 C PRO 125 0.427 29.735 1.578 1.00 32.62 ATOM 615 O PRO 125 0.124 30.238 2.637 1.00 34.11 ATOM 616 N ARG 126 −0.311 28.790 0.992 1.00 33.81 ATOM 617 CA ARG 126 −1.423 28.113 1.639 1.00 35.48 ATOM 618 CB ARG 126 −2.768 28.715 1.257 1.00 35.66 ATOM 619 CG ARG 126 −3.031 30.108 1.814 1.00 40.74 ATOM 620 CD ARG 126 −3.321 30.024 3.333 1.00 46.49 ATOM 621 NE ARG 126 −3.314 31.330 3.992 1.00 49.71 ATOM 622 CZ ARG 126 −2.460 31.642 4.962 1.00 50.00 ATOM 623 NH1 ARG 126 −1.566 30.758 5.373 1.00 50.10 ATOM 624 NH2 ARG 126 −2.502 32.832 5.514 1.00 52.24 ATOM 625 C ARG 126 −1.333 26.757 1.019 1.00 35.74 ATOM 626 O ARG 126 −1.285 26.644 −0.215 1.00 35.29 ATOM 627 N GLY 127 −1.248 25.729 1.844 1.00 35.60 ATOM 628 CA GLY 127 −1.056 24.391 1.324 1.00 36.66 ATOM 629 C GLY 127 0.303 24.262 0.636 1.00 37.25 ATOM 630 O GLY 127 0.526 23.341 −0.145 1.00 38.77 ATOM 631 N GLY 128 1.215 25.174 0.945 1.00 36.25 ATOM 632 CA GLY 128 2.587 25.092 0.459 1.00 35.01 ATOM 633 C GLY 128 2.846 25.764 −0.894 1.00 33.50 ATOM 634 O GLY 128 3.942 25.641 −1.416 1.00 35.01 ATOM 635 N ILE 129 1.856 26.470 −1.418 1.00 31.65 ATOM 636 CA ILE 129 1.888 27.150 −2.690 1.00 30.62 ATOM 637 CB ILE 129 0.895 26.509 −3.690 1.00 31.63 ATOM 638 CG1 ILE 129 1.326 25.075 −3.976 1.00 31.67 ATOM 639 CD1 ILE 129 0.279 24.306 −4.529 1.00 35.41 ATOM 640 CG2 ILE 129 0.893 27.302 −5.039 1.00 30.84 ATOM 641 C ILE 129 1.485 28.578 −2.539 1.00 29.88 ATOM 642 O ILE 129 0.490 28.857 −1.897 1.00 29.04 ATOM 643 N SER 130 2.249 29.496 −3.150 1.00 29.92 ATOM 644 CA SER 130 1.909 30.909 −3.127 1.00 29.06 ATOM 645 CB SER 130 3.077 31.732 −2.587 1.00 27.81 ATOM 646 OG SER 130 4.261 31.270 −3.159 1.00 25.44 ATOM 647 C SER 130 1.536 31.301 −4.545 1.00 29.57 ATOM 648 O SER 130 2.039 30.679 −5.486 1.00 31.56 ATOM 649 N ILE 131 0.665 32.303 −4.677 1.00 29.08 ATOM 650 CA ILE 131 0.096 32.788 −5.934 1.00 28.86 ATOM 651 CB ILE 131 −1.430 32.732 −5.881 1.00 28.88 ATOM 652 CG1 ILE 131 −1.849 31.259 −5.706 1.00 30.52 ATOM 653 CD1 ILE 131 −3.255 31.050 −5.421 1.00 32.39 ATOM 654 CG2 ILE 131 −2.094 33.277 −7.155 1.00 25.09 ATOM 655 C ILE 131 0.593 34.217 −6.071 1.00 29.72 ATOM 656 O ILE 131 0.469 34.986 −5.117 1.00 30.15 ATOM 657 N ASP 132 1.214 34.557 −7.212 1.00 29.62 ATOM 658 CA ASP 132 1.691 35.919 −7.471 1.00 29.94 ATOM 659 CB ASP 132 3.249 36.003 −7.521 1.00 30.39 ATOM 660 CG ASP 132 3.963 35.356 −6.261 1.00 31.97 ATOM 661 OD1 ASP 132 3.301 35.113 −5.232 1.00 33.78 ATOM 662 OD2 ASP 132 5.188 35.082 −6.293 1.00 31.91 ATOM 663 C ASP 132 1.054 36.403 −8.777 1.00 30.44 ATOM 664 O ASP 132 1.574 36.146 −9.868 1.00 31.92 ATOM 665 O HOH 29 4.554 23.293 −3.291 1.00 31.47 ATOM 666 O HOH 114 7.725 30.166 6.977 1.00 52.76 ATOM 667 O HOH 139 −1.081 32.261 −1.945 1.00 28.22 ATOM 668 O HOH 177 1.396 19.946 −3.619 1.00 41.52 ATOM 669 O HOH 183 −2.156 29.444 −2.470 1.00 36.87 ATOM 670 O HOH 201 −7.819 20.995 3.164 1.00 65.86 ATOM 671 O HOH 215 1.602 26.482 3.438 1.00 33.08 TER

TABLE 7 REMARK Accelrys ViewerPro PDB file REMARK Created:   Tue Dec 14 18:55:58 Pacific Standard Time 2010 ATOM 1 N ASN 21 13.692 −1.701 −3.334 1.00 81.54 ATOM 2 CA ASN 21 12.532 −0.960 −2.749 1.00 81.46 ATOM 3 CB ASN 21 11.366 −1.909 −2.412 1.00 81.84 ATOM 4 CG ASN 21 10.697 −2.491 −3.646 1.00 83.20 ATOM 5 OD1 ASN 21 10.472 −1.794 −4.647 1.00 83.55 ATOM 6 ND2 ASN 21 10.366 −3.785 −3.578 1.00 84.79 ATOM 7 C ASN 21 12.928 −0.209 −1.485 1.00 80.69 ATOM 8 O ASN 21 13.518 −0.796 −0.567 1.00 80.73 ATOM 9 N TYR 22 12.586 1.078 −1.435 1.00 79.35 ATOM 10 CA TYR 22 12.879 1.901 −0.262 1.00 77.81 ATOM 11 CB TYR 22 13.315 3.320 −0.669 1.00 79.28 ATOM 12 CG TYR 22 14.638 3.304 −1.409 1.00 81.40 ATOM 13 CD1 TYR 22 14.676 3.185 −2.804 1.00 82.49 ATOM 14 CE1 TYR 22 15.897 3.123 −3.491 1.00 83.45 ATOM 15 CZ TYR 22 17.106 3.184 −2.781 1.00 83.25 ATOM 16 OH TYR 22 18.302 3.138 −3.477 1.00 82.57 ATOM 17 CE2 TYR 22 17.101 3.287 −1.387 1.00 83.76 ATOM 18 CD2 TYR 22 15.861 3.342 −0.707 1.00 83.50 ATOM 19 C TYR 22 11.715 1.908 0.726 1.00 75.40 ATOM 20 O TYR 22 10.531 1.922 0.334 1.00 74.94 ATOM 21 N LEU 23 12.080 1.865 2.006 1.00 72.28 ATOM 22 CA LEU 23 11.134 1.804 3.117 1.00 69.17 ATOM 23 CB LEU 23 11.861 1.311 4.374 1.00 69.64 ATOM 24 CG LEU 23 12.622 −0.017 4.233 1.00 69.82 ATOM 25 CD1 LEU 23 14.072 0.114 4.703 1.00 70.20 ATOM 26 CD2 LEU 23 11.899 −1.160 4.940 1.00 69.88 ATOM 27 C LEU 23 10.602 3.202 3.348 1.00 66.54 ATOM 28 O LEU 23 11.383 4.120 3.535 1.00 65.88 ATOM 29 N PHE 24 9.284 3.362 3.294 1.00 63.72 ATOM 30 CA PHE 24 8.647 4.662 3.556 1.00 61.56 ATOM 31 CB PHE 24 7.880 5.206 2.324 1.00 60.54 ATOM 32 CG PHE 24 8.767 5.492 1.112 1.00 59.27 ATOM 33 CD1 PHE 24 8.240 5.411 −0.190 1.00 57.10 ATOM 34 CE1 PHE 24 9.049 5.669 −1.303 1.00 57.36 ATOM 35 CZ PHE 24 10.430 6.009 −1.125 1.00 57.15 ATOM 36 CE2 PHE 24 10.965 6.081 0.161 1.00 54.36 ATOM 37 CD2 PHE 24 10.134 5.829 1.268 1.00 57.17 ATOM 38 C PHE 24 7.782 4.632 4.834 1.00 60.45 ATOM 39 O PHE 24 7.090 5.605 5.163 1.00 59.97 ATOM 40 N TYR 26 8.300 3.919 9.057 1.00 53.39 ATOM 41 CA TYR 26 9.368 4.148 10.037 1.00 51.12 ATOM 42 CB TYR 26 8.767 4.683 11.367 1.00 50.90 ATOM 43 CG TYR 26 9.723 4.796 12.547 1.00 49.37 ATOM 44 CD1 TYR 26 9.529 4.029 13.706 1.00 47.61 ATOM 45 CE1 TYR 26 10.403 4.110 14.792 1.00 47.21 ATOM 46 CZ TYR 26 11.486 4.987 14.723 1.00 50.33 ATOM 47 OH TYR 26 12.370 5.102 15.782 1.00 48.17 ATOM 48 CE2 TYR 26 11.692 5.768 13.572 1.00 48.10 ATOM 49 CD2 TYR 26 10.813 5.669 12.504 1.00 47.36 ATOM 50 C TYR 26 10.238 2.910 10.249 1.00 50.47 ATOM 51 O TYR 26 9.737 1.829 10.532 1.00 49.58 ATOM 52 N ALA 27 11.549 3.095 10.111 1.00 50.08 ATOM 53 CA ALA 27 12.508 1.989 10.046 1.00 49.65 ATOM 54 CB ALA 27 12.755 1.586 8.576 1.00 49.90 ATOM 55 C ALA 27 13.841 2.331 10.698 1.00 49.17 ATOM 56 O ALA 27 14.833 2.531 10.003 1.00 49.36 ATOM 57 N PHE 47 25.062 17.040 9.763 1.00 25.69 ATOM 58 CA PHE 47 24.285 16.712 8.552 1.00 25.78 ATOM 59 CB PHE 47 23.624 15.343 8.700 1.00 26.07 ATOM 60 CG PHE 47 24.612 14.259 9.035 1.00 25.38 ATOM 61 CD1 PHE 47 25.005 14.054 10.352 1.00 29.07 ATOM 62 CE1 PHE 47 25.981 13.040 10.678 1.00 29.50 ATOM 63 CZ PHE 47 26.543 12.276 9.652 1.00 26.40 ATOM 64 CE2 PHE 47 26.165 12.494 8.358 1.00 24.93 ATOM 65 CD2 PHE 47 25.197 13.483 8.042 1.00 27.19 ATOM 66 C PHE 47 23.238 17.752 8.240 1.00 26.50 ATOM 67 O PHE 47 22.384 18.061 9.088 1.00 26.93 ATOM 68 N ASN 48 23.303 18.279 7.021 1.00 26.28 ATOM 69 CA ASN 48 22.271 19.151 6.455 1.00 26.70 ATOM 70 CB ASN 48 22.917 20.148 5.530 1.00 26.63 ATOM 71 CG ASN 48 24.033 20.953 6.193 1.00 27.75 ATOM 72 OD1 ASN 48 23.790 21.639 7.179 1.00 26.90 ATOM 73 ND2 ASN 48 25.239 20.902 5.633 1.00 21.97 ATOM 74 C ASN 48 21.329 18.296 5.641 1.00 27.42 ATOM 75 O ASN 48 21.769 17.629 4.672 1.00 27.74 ATOM 76 N CYS 49 20.051 18.275 6.022 1.00 27.81 ATOM 77 CA CYS 49 19.052 17.364 5.444 1.00 27.79 ATOM 78 CB CYS 49 18.599 16.308 6.442 1.00 27.88 ATOM 79 SG CYS 49 19.994 15.572 7.349 1.00 33.42 ATOM 80 C CYS 49 17.864 18.147 4.960 1.00 27.42 ATOM 81 O CYS 49 16.852 18.099 5.563 1.00 27.36 ATOM 82 N PRO 50 17.990 18.854 3.819 1.00 28.25 ATOM 83 CA PRO 50 16.910 19.650 3.295 1.00 28.95 ATOM 84 CB PRO 50 17.622 20.590 2.333 1.00 28.68 ATOM 85 CG PRO 50 18.726 19.800 1.868 1.00 29.66 ATOM 86 CD PRO 50 19.176 18.926 2.952 1.00 27.22 ATOM 87 C PRO 50 15.827 18.823 2.571 1.00 30.16 ATOM 88 O PRO 50 14.817 19.374 2.146 1.00 30.23 ATOM 89 N GLU 51 15.953 17.501 2.506 1.00 30.75 ATOM 90 CA GLU 51 14.876 16.769 1.832 1.00 30.88 ATOM 91 CB GLU 51 15.476 15.828 0.770 1.00 30.96 ATOM 92 CG GLU 51 16.006 16.687 −0.398 1.00 30.27 ATOM 93 CD GLU 51 16.941 15.950 −1.336 1.00 34.08 ATOM 94 OE1 GLU 51 17.091 14.711 −1.229 1.00 37.55 ATOM 95 OE2 GLU 51 17.562 16.627 −2.163 1.00 33.25 ATOM 96 C GLU 51 13.852 16.084 2.717 1.00 31.31 ATOM 97 O GLU 51 13.087 15.242 2.253 1.00 32.45 ATOM 98 N PHE 52 13.804 16.434 3.999 1.00 30.57 ATOM 99 CA PHE 52 12.946 15.690 4.901 1.00 29.32 ATOM 100 CB PHE 52 13.197 16.089 6.352 1.00 29.38 ATOM 101 CG PHE 52 12.401 15.278 7.317 1.00 28.90 ATOM 102 CD1 PHE 52 12.848 14.011 7.694 1.00 25.64 ATOM 103 CE1 PHE 52 12.120 13.254 8.596 1.00 26.75 ATOM 104 CZ PHE 52 10.907 13.720 9.069 1.00 25.36 ATOM 105 CE2 PHE 52 10.433 14.985 8.677 1.00 28.36 ATOM 106 CD2 PHE 52 11.172 15.749 7.797 1.00 26.05 ATOM 107 C PHE 52 11.495 15.907 4.571 1.00 29.42 ATOM 108 O PHE 52 11.112 17.027 4.241 1.00 29.42 ATOM 109 N THR 53 10.688 14.849 4.681 1.00 28.87 ATOM 110 CA THR 53 9.246 14.931 4.491 1.00 29.86 ATOM 111 CB THR 53 8.835 14.971 2.965 1.00 29.43 ATOM 112 OG1 THR 53 7.463 15.266 2.864 1.00 29.24 ATOM 113 CG2 THR 53 9.008 13.632 2.244 1.00 29.41 ATOM 114 C THR 53 8.504 13.816 5.284 1.00 30.60 ATOM 115 O THR 53 9.051 12.734 5.474 1.00 31.11 ATOM 116 N PHE 64 7.144 19.152 5.330 1.00 30.47 ATOM 117 CA PHE 64 8.494 19.197 4.755 1.00 28.47 ATOM 118 CB PHE 64 8.437 19.872 3.371 1.00 28.12 ATOM 119 CG PHE 64 7.610 19.102 2.353 1.00 28.68 ATOM 120 CD1 PHE 64 6.222 19.187 2.352 1.00 30.31 ATOM 121 CE1 PHE 64 5.465 18.482 1.430 1.00 31.76 ATOM 122 CZ PHE 64 6.113 17.639 0.479 1.00 27.12 ATOM 123 CE2 PHE 64 7.491 17.535 0.481 1.00 30.78 ATOM 124 CD2 PHE 64 8.238 18.276 1.407 1.00 30.18 ATOM 125 C PHE 64 9.375 19.990 5.682 1.00 27.63 ATOM 126 O PHE 64 8.906 20.929 6.289 1.00 28.69 ATOM 127 N ALA 65 10.672 19.674 5.722 1.00 26.33 ATOM 128 CA ALA 65 11.573 20.355 6.558 1.00 25.69 ATOM 129 CB ALA 65 11.452 19.770 8.065 1.00 24.22 ATOM 130 C ALA 65 13.003 20.226 6.057 1.00 25.67 ATOM 131 O ALA 65 13.333 19.340 5.287 1.00 26.66 ATOM 132 N THR 66 13.846 21.119 6.530 1.00 25.39 ATOM 133 CA THR 66 15.277 20.938 6.552 1.00 27.61 ATOM 134 CB THR 66 15.977 22.221 6.171 1.00 27.25 ATOM 135 OG1 THR 66 15.670 22.501 4.818 1.00 30.69 ATOM 136 CG2 THR 66 17.458 22.055 6.236 1.00 31.40 ATOM 137 C THR 66 15.650 20.599 7.998 1.00 28.30 ATOM 138 O THR 66 15.252 21.289 8.951 1.00 28.10 ATOM 139 N ILE 67 16.423 19.543 8.164 1.00 28.94 ATOM 140 CA ILE 67 16.873 19.153 9.492 1.00 28.94 ATOM 141 CB ILE 67 16.441 17.682 9.743 1.00 29.43 ATOM 142 CG1 ILE 67 14.916 17.617 9.628 1.00 28.57 ATOM 143 CD1 ILE 67 14.401 16.268 9.787 1.00 29.91 ATOM 144 CG2 ILE 67 16.945 17.156 11.087 1.00 29.92 ATOM 145 C ILE 67 18.359 19.342 9.525 1.00 28.85 ATOM 146 O ILE 67 19.014 19.023 8.528 1.00 29.21 ATOM 147 N TYR 68 18.886 19.885 10.635 1.00 28.85 ATOM 148 CA TYR 68 20.318 20.053 10.875 1.00 27.65 ATOM 149 CB TYR 68 20.702 21.513 11.114 1.00 28.00 ATOM 150 CG TYR 68 20.290 22.412 9.962 1.00 27.25 ATOM 151 CD1 TYR 68 19.091 23.118 9.975 1.00 23.97 ATOM 152 CE1 TYR 68 18.720 23.951 8.875 1.00 28.38 ATOM 153 CZ TYR 68 19.563 23.994 7.745 1.00 28.49 ATOM 154 OH TYR 68 19.296 24.739 6.599 1.00 26.21 ATOM 155 CE2 TYR 68 20.753 23.251 7.732 1.00 29.17 ATOM 156 CD2 TYR 68 21.108 22.490 8.807 1.00 27.85 ATOM 157 C TYR 68 20.608 19.186 12.086 1.00 29.20 ATOM 158 O TYR 68 19.978 19.362 13.159 1.00 29.47 ATOM 159 N GLU 79 26.458 6.264 9.570 1.00 38.71 ATOM 160 CA GLU 79 26.759 6.201 8.147 1.00 39.26 ATOM 161 CB GLU 79 26.840 4.742 7.675 1.00 39.82 ATOM 162 CG GLU 79 27.658 4.523 6.377 1.00 41.73 ATOM 163 CD GLU 79 26.916 5.023 5.134 1.00 44.42 ATOM 164 OE1 GLU 79 25.731 4.637 4.995 1.00 45.96 ATOM 165 OE2 GLU 79 27.485 5.827 4.330 1.00 43.13 ATOM 166 C GLU 79 25.763 7.056 7.361 1.00 39.15 ATOM 167 O GLU 79 24.544 6.957 7.544 1.00 39.58 ATOM 168 N SER 80 26.289 7.928 6.506 1.00 39.14 ATOM 169 CA SER 80 25.467 8.878 5.757 1.00 40.45 ATOM 170 CB SER 80 26.344 9.708 4.813 1.00 40.98 ATOM 171 OG SER 80 25.565 10.760 4.263 1.00 43.76 ATOM 172 C SER 80 24.312 8.273 4.969 1.00 39.97 ATOM 173 O SER 80 23.214 8.829 4.946 1.00 40.91 ATOM 174 N LYS 81 24.568 7.159 4.285 1.00 40.44 ATOM 175 CA LYS 81 23.564 6.530 3.434 1.00 39.60 ATOM 176 CB LYS 81 24.232 5.581 2.421 1.00 40.23 ATOM 177 CG LYS 81 23.225 4.710 1.552 1.00 41.71 ATOM 178 CD LYS 81 23.952 3.739 0.562 1.00 43.35 ATOM 179 CE LYS 81 24.173 2.308 1.110 1.00 51.29 ATOM 180 NZ LYS 81 22.945 1.412 0.924 1.00 51.65 ATOM 181 C LYS 81 22.495 5.846 4.278 1.00 37.68 ATOM 182 O LYS 81 21.300 5.955 3.950 1.00 36.22 ATOM 183 N SER 82 22.889 5.209 5.394 1.00 36.37 ATOM 184 CA SER 82 21.872 4.696 6.342 1.00 36.60 ATOM 185 CB SER 82 22.482 3.886 7.500 1.00 37.83 ATOM 186 OG SER 82 23.305 4.646 8.389 1.00 38.89 ATOM 187 C SER 82 20.946 5.803 6.860 1.00 36.09 ATOM 188 O SER 82 19.692 5.635 6.863 1.00 35.12 ATOM 189 N LEU 83 21.559 6.942 7.220 1.00 34.52 ATOM 190 CA LEU 83 20.810 8.145 7.632 1.00 34.68 ATOM 191 CB LEU 83 21.750 9.303 8.037 1.00 34.38 ATOM 192 CG LEU 83 21.070 10.539 8.675 1.00 35.18 ATOM 193 CD1 LEU 83 20.172 10.189 9.928 1.00 28.46 ATOM 194 CD2 LEU 83 22.108 11.609 8.990 1.00 33.77 ATOM 195 C LEU 83 19.796 8.611 6.596 1.00 34.51 ATOM 196 O LEU 83 18.665 8.972 6.920 1.00 33.59 ATOM 197 N LYS 84 20.215 8.596 5.340 1.00 35.31 ATOM 198 CA LYS 84 19.364 8.948 4.241 1.00 35.99 ATOM 199 CB LYS 84 20.196 8.889 2.946 1.00 35.66 ATOM 200 CG LYS 84 19.404 8.959 1.673 1.00 37.97 ATOM 201 CD LYS 84 20.315 8.602 0.461 1.00 37.55 ATOM 202 CE LYS 84 20.113 7.166 0.020 1.00 39.56 ATOM 203 NZ LYS 84 20.530 6.897 −1.391 1.00 41.94 ATOM 204 C LYS 84 18.181 7.995 4.207 1.00 36.20 ATOM 205 O LYS 84 17.022 8.423 4.139 1.00 36.55 ATOM 206 N LEU 85 18.470 6.699 4.278 1.00 36.49 ATOM 207 CA LEU 85 17.432 5.689 4.349 1.00 36.64 ATOM 208 CB LEU 85 18.080 4.297 4.349 1.00 36.98 ATOM 209 CG LEU 85 18.513 3.540 3.067 1.00 39.95 ATOM 210 CD1 LEU 85 18.684 4.437 1.833 1.00 41.97 ATOM 211 CD2 LEU 85 19.796 2.690 3.275 1.00 37.78 ATOM 212 C LEU 85 16.558 5.870 5.579 1.00 36.28 ATOM 213 O LEU 85 15.340 5.834 5.500 1.00 35.95 ATOM 214 N TYR 86 17.159 6.087 6.739 1.00 36.01 ATOM 215 CA TYR 86 16.334 6.368 7.917 1.00 35.20 ATOM 216 CB TYR 86 17.247 6.613 9.096 1.00 36.62 ATOM 217 CG TYR 86 16.542 6.971 10.358 1.00 38.86 ATOM 218 CD1 TYR 86 15.640 6.078 10.977 1.00 37.52 ATOM 219 CE1 TYR 86 14.997 6.448 12.173 1.00 39.96 ATOM 220 CZ TYR 86 15.297 7.714 12.754 1.00 39.92 ATOM 221 OH TYR 86 14.696 8.167 13.898 1.00 40.85 ATOM 222 CE2 TYR 86 16.177 8.573 12.151 1.00 38.61 ATOM 223 CD2 TYR 86 16.791 8.205 10.963 1.00 39.08 ATOM 224 C TYR 86 15.382 7.541 7.697 1.00 34.75 ATOM 225 O TYR 86 14.170 7.463 7.935 1.00 34.10 ATOM 226 N LEU 87 15.893 8.650 7.188 1.00 35.13 ATOM 227 CA LEU 87 14.989 9.790 6.955 1.00 35.00 ATOM 228 CB LEU 87 15.751 11.089 6.780 1.00 35.12 ATOM 229 CG LEU 87 16.716 11.493 7.900 1.00 36.20 ATOM 230 CD1 LEU 87 17.587 12.656 7.466 1.00 32.77 ATOM 231 CD2 LEU 87 15.956 11.830 9.204 1.00 34.84 ATOM 232 C LEU 87 13.972 9.553 5.842 1.00 35.54 ATOM 233 O LEU 87 12.819 10.037 5.926 1.00 33.45 ATOM 234 N PHE 88 14.356 8.785 4.806 1.00 37.14 ATOM 235 CA PHE 88 13.331 8.302 3.840 1.00 38.55 ATOM 236 CB PHE 88 13.904 7.323 2.789 1.00 40.19 ATOM 237 CG PHE 88 14.749 7.975 1.719 1.00 44.41 ATOM 238 CD1 PHE 88 15.587 7.192 0.913 1.00 45.28 ATOM 239 CE1 PHE 88 16.380 7.783 −0.061 1.00 46.31 ATOM 240 CZ PHE 88 16.347 9.175 −0.247 1.00 45.62 ATOM 241 CE2 PHE 88 15.522 9.963 0.548 1.00 46.65 ATOM 242 CD2 PHE 88 14.726 9.365 1.520 1.00 46.40 ATOM 243 C PHE 88 12.204 7.574 4.580 1.00 37.62 ATOM 244 O PHE 88 11.050 7.699 4.218 1.00 37.12 ATOM 245 N SER 89 12.561 6.808 5.611 1.00 37.50 ATOM 246 CA SER 89 11.577 5.967 6.306 1.00 37.88 ATOM 247 CB SER 89 12.223 4.983 7.284 1.00 38.18 ATOM 248 OG SER 89 12.601 5.581 8.518 1.00 39.35 ATOM 249 C SER 89 10.468 6.764 6.956 1.00 37.70 ATOM 250 O SER 89 9.477 6.201 7.332 1.00 38.26 ATOM 251 N PHE 90 10.587 8.083 7.013 1.00 36.34 ATOM 252 CA PHE 90 9.481 8.886 7.548 1.00 35.88 ATOM 253 CB PHE 90 10.030 10.130 8.270 1.00 35.55 ATOM 254 CG PHE 90 10.699 9.824 9.560 1.00 34.96 ATOM 255 CD1 PHE 90 11.991 9.303 9.586 1.00 35.21 ATOM 256 CE1 PHE 90 12.623 9.011 10.771 1.00 33.10 ATOM 257 CZ PHE 90 11.986 9.238 11.945 1.00 36.55 ATOM 258 CE2 PHE 90 10.684 9.766 11.947 1.00 38.06 ATOM 259 CD2 PHE 90 10.057 10.063 10.755 1.00 35.73 ATOM 260 C PHE 90 8.452 9.313 6.514 1.00 35.67 ATOM 261 O PHE 90 7.433 9.915 6.867 1.00 35.03 ATOM 262 N ARG 91 8.731 9.034 5.241 1.00 35.48 ATOM 263 CA ARG 91 7.909 9.538 4.127 1.00 36.26 ATOM 264 CB ARG 91 8.527 9.137 2.744 1.00 35.68 ATOM 265 CG ARG 91 7.788 9.707 1.534 1.00 32.43 ATOM 266 CD ARG 91 8.221 9.092 0.137 1.00 36.20 ATOM 267 NE ARG 91 9.085 10.056 −0.530 1.00 44.24 ATOM 268 CZ ARG 91 8.723 10.921 −1.467 1.00 42.01 ATOM 269 NH1 ARG 91 7.535 10.933 −1.989 1.00 41.45 ATOM 270 NH2 ARG 91 9.601 11.770 −1.908 1.00 50.38 ATOM 271 C ARG 91 6.420 9.206 4.216 1.00 37.67 ATOM 272 O ARG 91 5.579 10.046 3.931 1.00 36.52 ATOM 273 N ASN 164 7.610 33.624 5.211 1.00 33.87 ATOM 274 CA ASN 164 6.874 32.623 4.447 1.00 34.28 ATOM 275 CB ASN 164 5.360 32.640 4.769 1.00 32.50 ATOM 276 CG ASN 164 5.033 32.212 6.207 1.00 32.82 ATOM 277 OD1 ASN 164 5.896 31.709 6.951 1.00 30.94 ATOM 278 ND2 ASN 164 3.768 32.423 6.602 1.00 29.12 ATOM 279 C ASN 164 7.084 32.642 2.912 1.00 34.97 ATOM 280 O ASN 164 6.322 32.009 2.191 1.00 35.11 ATOM 281 O6 GDQ 201 32.296 10.635 4.524 1.00 46.27 ATOM 282 C6 GDQ 201 31.248 9.917 5.035 1.00 47.77 ATOM 283 N1 GDQ 201 30.797 10.050 6.323 1.00 47.90 ATOM 284 C5 GDQ 201 30.614 8.990 4.235 1.00 48.17 ATOM 285 C7 GDQ 201 30.698 8.536 2.936 1.00 49.49 ATOM 286 C77 GDQ 201 31.612 8.969 2.073 1.00 48.63 ATOM 287 N77 GDQ 201 32.516 9.322 1.359 1.00 53.62 ATOM 288 C8 GDQ 201 29.759 7.552 2.635 1.00 47.67 ATOM 289 N9 GDQ 201 29.054 7.399 3.791 1.00 46.70 ATOM 290 C4 GDQ 201 29.559 8.251 4.732 1.00 47.89 ATOM 291 N3 GDQ 201 29.132 8.401 6.010 1.00 47.83 ATOM 292 C2 GDQ 201 29.744 9.300 6.809 1.00 48.19 ATOM 293 N2 GDQ 201 29.279 9.410 8.086 1.00 46.97 ATOM 294 N THR 53 38.860 17.948 −3.280 1.00 30.01 ATOM 295 CA THR 53 38.183 16.694 −3.678 1.00 29.44 ATOM 296 CB THR 53 37.840 16.658 −5.235 1.00 29.62 ATOM 297 OG1 THR 53 37.131 15.442 −5.556 1.00 29.40 ATOM 298 CG2 THR 53 39.072 16.811 −6.094 1.00 25.18 ATOM 299 C THR 53 38.990 15.457 −3.243 1.00 30.25 ATOM 300 O THR 53 40.215 15.543 −3.068 1.00 31.21 ATOM 301 N SER 54 38.300 14.356 −3.003 1.00 30.79 ATOM 302 CA SER 54 38.904 13.065 −2.708 1.00 32.95 ATOM 303 CB SER 54 39.301 12.946 −1.220 1.00 34.16 ATOM 304 OG SER 54 38.154 13.067 −0.381 1.00 35.15 ATOM 305 C SER 54 37.889 12.001 −3.016 1.00 34.08 ATOM 306 O SER 54 36.913 12.280 −3.712 1.00 33.43 ATOM 307 N LEU 55 38.069 10.797 −2.459 1.00 35.50 ATOM 308 CA LEU 55 37.268 9.657 −2.895 1.00 38.99 ATOM 309 CB LEU 55 38.179 8.651 −3.644 1.00 38.15 ATOM 310 CG LEU 55 38.817 9.069 −4.982 1.00 38.05 ATOM 311 CD1 LEU 55 39.656 7.937 −5.661 1.00 37.97 ATOM 312 CD2 LEU 55 37.756 9.481 −5.925 1.00 36.27 ATOM 313 C LEU 55 36.465 8.986 −1.761 1.00 41.28 ATOM 314 O LEU 55 36.931 8.915 −0.633 1.00 42.13 ATOM 315 N CYS 56 35.259 8.514 −2.036 1.00 45.15 ATOM 316 CA CYS 56 34.534 7.710 −1.045 1.00 48.21 ATOM 317 CB CYS 56 33.081 7.551 −1.475 1.00 48.98 ATOM 318 SG CYS 56 32.106 6.272 −0.638 1.00 48.04 ATOM 319 C CYS 56 35.294 6.359 −0.863 1.00 50.95 ATOM 320 O CYS 56 35.713 5.744 −1.855 1.00 51.40 ATOM 321 N PRO 57 35.556 5.933 0.398 1.00 52.65 ATOM 322 CA PRO 57 36.546 4.843 0.573 1.00 54.14 ATOM 323 CB PRO 57 36.941 4.948 2.049 1.00 54.19 ATOM 324 CG PRO 57 35.725 5.574 2.728 1.00 53.52 ATOM 325 CD PRO 57 34.969 6.371 1.680 1.00 52.98 ATOM 326 C PRO 57 35.998 3.439 0.227 1.00 55.54 ATOM 327 O PRO 57 36.772 2.537 −0.135 1.00 54.81 ATOM 328 N LYS 58 34.672 3.284 0.324 1.00 57.50 ATOM 329 CA LYS 58 33.977 2.071 −0.134 1.00 59.13 ATOM 330 CB LYS 58 32.663 1.836 0.632 1.00 59.05 ATOM 331 CG LYS 58 31.664 0.888 −0.073 1.00 60.63 ATOM 332 CD LYS 58 30.258 0.913 0.598 1.00 60.64 ATOM 333 CE LYS 58 29.146 0.312 −0.291 1.00 62.65 ATOM 334 NZ LYS 58 27.745 0.706 0.131 1.00 60.90 ATOM 335 C LYS 58 33.732 2.204 −1.640 1.00 59.19 ATOM 336 O LYS 58 34.269 1.421 −2.420 1.00 59.79 ATOM 337 N VAL 59 32.970 3.230 −2.031 1.00 58.64 ATOM 338 CA VAL 59 32.501 3.415 −3.423 1.00 57.13 ATOM 339 CB VAL 59 31.314 4.428 −3.464 1.00 57.65 ATOM 340 CG1 VAL 59 31.000 4.843 −4.851 1.00 58.60 ATOM 341 CG2 VAL 59 30.061 3.818 −2.811 1.00 58.09 ATOM 342 C VAL 59 33.588 3.767 −4.467 1.00 55.09 ATOM 343 O VAL 59 33.546 3.270 −5.578 1.00 56.14 ATOM 344 N GLY 60 34.535 4.640 −4.134 1.00 52.41 ATOM 345 CA GLY 60 35.470 5.172 −5.125 1.00 47.50 ATOM 346 C GLY 60 34.968 6.404 −5.865 1.00 45.30 ATOM 347 O GLY 60 35.704 7.003 −6.618 1.00 44.68 ATOM 348 N GLN 61 33.709 6.771 −5.661 1.00 43.47 ATOM 349 CA GLN 61 33.098 7.979 −6.206 1.00 43.06 ATOM 350 CB GLN 61 31.585 7.965 −5.934 1.00 42.84 ATOM 351 CG GLN 61 30.815 9.238 −6.328 1.00 46.97 ATOM 352 CD GLN 61 29.288 9.110 −6.178 1.00 48.50 ATOM 353 OE1 GLN 61 28.513 9.704 −6.959 1.00 53.52 ATOM 354 NE2 GLN 61 28.847 8.327 −5.167 1.00 52.86 ATOM 355 C GLN 61 33.738 9.215 −5.581 1.00 40.38 ATOM 356 O GLN 61 33.987 9.250 −4.394 1.00 39.46 ATOM 357 N PRO 62 34.032 10.227 −6.399 1.00 39.26 ATOM 358 CA PRO 62 34.608 11.508 −5.962 1.00 37.62 ATOM 359 CB PRO 62 34.652 12.332 −7.244 1.00 37.68 ATOM 360 CG PRO 62 34.514 11.382 −8.361 1.00 38.30 ATOM 361 CD PRO 62 33.765 10.193 −7.850 1.00 39.55 ATOM 362 C PRO 62 33.692 12.251 −4.981 1.00 36.24 ATOM 363 O PRO 62 32.451 12.166 −5.112 1.00 35.39 ATOM 364 N ASP 63 34.310 12.988 −4.041 1.00 34.81 ATOM 365 CA ASP 63 33.615 13.918 −3.138 1.00 33.85 ATOM 366 CB ASP 63 33.883 13.641 −1.635 1.00 35.11 ATOM 367 CG ASP 63 33.749 12.160 −1.212 1.00 42.47 ATOM 368 OD1 ASP 63 32.689 11.539 −1.559 1.00 45.14 ATOM 369 OD2 ASP 63 34.699 11.672 −0.463 1.00 44.13 ATOM 370 C ASP 63 34.272 15.249 −3.337 1.00 31.61 ATOM 371 O ASP 63 35.487 15.294 −3.648 1.00 30.61 ATOM 372 N PHE 64 33.523 16.303 −3.001 1.00 28.89 ATOM 373 CA PHE 64 33.915 17.698 −3.121 1.00 28.44 ATOM 374 CB PHE 64 33.244 18.303 −4.359 1.00 27.72 ATOM 375 CG PHE 64 33.646 17.622 −5.640 1.00 28.55 ATOM 376 CD1 PHE 64 33.020 16.441 −6.040 1.00 29.74 ATOM 377 CE1 PHE 64 33.416 15.763 −7.209 1.00 27.82 ATOM 378 CZ PHE 64 34.461 16.270 −7.957 1.00 28.20 ATOM 379 CE2 PHE 64 35.108 17.463 −7.578 1.00 29.67 ATOM 380 CD2 PHE 64 34.698 18.137 −6.416 1.00 28.64 ATOM 381 C PHE 64 33.573 18.547 −1.875 1.00 28.20 ATOM 382 O PHE 64 32.483 18.436 −1.322 1.00 28.02 ATOM 383 N PHE 90 44.996 14.292 −1.871 1.00 34.87 ATOM 384 CA PHE 90 43.826 13.474 −1.489 1.00 34.62 ATOM 385 CB PHE 90 42.889 14.214 −0.526 1.00 34.78 ATOM 386 CG PHE 90 43.417 14.335 0.864 1.00 36.36 ATOM 387 CD1 PHE 90 44.357 15.306 1.183 1.00 34.82 ATOM 388 CE1 PHE 90 44.862 15.414 2.469 1.00 37.21 ATOM 389 CZ PHE 90 44.425 14.559 3.455 1.00 36.41 ATOM 390 CE2 PHE 90 43.437 13.608 3.177 1.00 40.24 ATOM 391 CD2 PHE 90 42.948 13.488 1.870 1.00 39.21 ATOM 392 C PHE 90 43.015 13.119 −2.707 1.00 34.30 ATOM 393 O PHE 90 42.034 12.393 −2.578 1.00 33.27 ATOM 394 N ARG 91 43.394 13.653 −3.876 1.00 34.65 ATOM 395 CA ARG 91 42.519 13.588 −5.057 1.00 36.62 ATOM 396 CB ARG 91 43.149 14.284 −6.265 1.00 36.64 ATOM 397 CG ARG 91 42.338 14.272 −7.542 1.00 35.88 ATOM 398 CD ARG 91 43.115 15.082 −8.557 1.00 33.61 ATOM 399 NE ARG 91 42.400 15.312 −9.795 1.00 30.74 ATOM 400 CZ ARG 91 41.534 16.291 −10.004 1.00 34.38 ATOM 401 NH1 ARG 91 41.243 17.151 −9.016 1.00 32.01 ATOM 402 NH2 ARG 91 40.925 16.397 −11.204 1.00 29.74 ATOM 403 C ARG 91 42.139 12.166 −5.388 1.00 37.03 ATOM 404 O ARG 91 40.979 11.894 −5.679 1.00 37.70 ATOM 405 N ASN 92 43.103 11.261 −5.297 1.00 38.94 ATOM 406 CA ASN 92 42.839 9.870 −5.554 1.00 42.43 ATOM 407 CB ASN 92 43.642 9.375 −6.801 1.00 43.10 ATOM 408 CG ASN 92 43.282 10.204 −8.117 1.00 46.75 ATOM 409 OD1 ASN 92 42.089 10.406 −8.479 1.00 49.26 ATOM 410 ND2 ASN 92 44.316 10.701 −8.794 1.00 50.32 ATOM 411 C ASN 92 42.892 8.964 −4.290 1.00 44.01 ATOM 412 O ASN 92 43.046 7.738 −4.380 1.00 44.78 ATOM 413 N HIS 93 42.655 9.585 −3.129 1.00 44.75 ATOM 414 CA HIS 93 42.657 8.938 −1.808 1.00 45.82 ATOM 415 CB HIS 93 43.484 9.819 −0.855 1.00 46.58 ATOM 416 CG HIS 93 43.815 9.164 0.451 1.00 51.68 ATOM 417 ND1 HIS 93 43.532 9.748 1.675 1.00 56.34 ATOM 418 CE1 HIS 93 43.921 8.940 2.647 1.00 57.05 ATOM 419 NE2 HIS 93 44.443 7.851 2.100 1.00 57.52 ATOM 420 CD2 HIS 93 44.392 7.968 0.728 1.00 54.61 ATOM 421 C HIS 93 41.239 8.752 −1.260 1.00 44.81 ATOM 422 O HIS 93 40.441 9.680 −1.290 1.00 46.13 ATOM 423 N GLY 94 40.912 7.553 −0.794 1.00 44.84 ATOM 424 CA GLY 94 39.601 7.242 −0.173 1.00 44.49 ATOM 425 C GLY 94 39.595 7.374 1.371 1.00 45.32 ATOM 426 O GLY 94 40.376 6.704 2.066 1.00 45.94 ATOM 427 N ASP 95 38.769 8.268 1.909 1.00 44.13 ATOM 428 CA ASP 95 38.517 8.356 3.353 1.00 44.02 ATOM 429 CB ASP 95 39.668 9.032 4.144 1.00 45.45 ATOM 430 CG ASP 95 40.731 8.014 4.704 1.00 48.99 ATOM 431 OD1 ASP 95 41.927 8.383 4.810 1.00 54.04 ATOM 432 OD2 ASP 95 40.388 6.855 5.047 1.00 53.84 ATOM 433 C ASP 95 37.187 9.085 3.581 1.00 42.25 ATOM 434 O ASP 95 36.732 9.828 2.717 1.00 40.15 ATOM 435 N PHE 96 36.578 8.830 4.739 1.00 41.12 ATOM 436 CA PHE 96 35.355 9.496 5.166 1.00 40.60 ATOM 437 CB PHE 96 34.758 8.789 6.374 1.00 41.69 ATOM 438 CG PHE 96 34.073 7.491 6.022 1.00 44.28 ATOM 439 CD1 PHE 96 34.090 6.411 6.901 1.00 47.19 ATOM 440 CE1 PHE 96 33.442 5.202 6.586 1.00 47.63 ATOM 441 CZ PHE 96 32.773 5.070 5.367 1.00 46.71 ATOM 442 CE2 PHE 96 32.768 6.147 4.456 1.00 48.63 ATOM 443 CD2 PHE 96 33.424 7.345 4.788 1.00 46.24 ATOM 444 C PHE 96 35.627 10.957 5.443 1.00 39.42 ATOM 445 O PHE 96 36.775 11.305 5.709 1.00 38.89 ATOM 446 N HIS 97 34.603 11.808 5.301 1.00 38.19 ATOM 447 CA HIS 97 34.783 13.258 5.393 1.00 38.39 ATOM 448 CB HIS 97 33.490 14.011 5.055 1.00 38.74 ATOM 449 CG HIS 97 32.903 13.654 3.723 1.00 37.54 ATOM 450 ND1 HIS 97 33.655 13.135 2.690 1.00 34.50 ATOM 451 CE1 HIS 97 32.863 12.892 1.662 1.00 37.08 ATOM 452 NE2 HIS 97 31.629 13.260 1.977 1.00 36.65 ATOM 453 CD2 HIS 97 31.631 13.754 3.257 1.00 38.23 ATOM 454 C HIS 97 35.278 13.664 6.782 1.00 38.73 ATOM 455 O HIS 97 36.257 14.402 6.914 1.00 39.39 ATOM 456 N THR 124 29.742 18.680 −0.484 1.00 28.92 ATOM 457 CA THR 124 28.525 18.728 −1.322 1.00 28.20 ATOM 458 CB THR 124 28.868 18.901 −2.857 1.00 29.27 ATOM 459 OG1 THR 124 29.590 17.756 −3.280 1.00 27.12 ATOM 460 CG2 THR 124 29.733 20.162 −3.133 1.00 23.99 ATOM 461 C THR 124 27.655 17.499 −1.006 1.00 27.97 ATOM 462 O THR 124 28.154 16.506 −0.510 1.00 28.78 ATOM 463 N PRO 125 26.334 17.603 −1.199 1.00 28.21 ATOM 464 CA PRO 125 25.392 16.553 −0.813 1.00 29.53 ATOM 465 CB PRO 125 24.037 17.195 −1.038 1.00 28.34 ATOM 466 CG PRO 125 24.308 18.362 −2.001 1.00 26.96 ATOM 467 CD PRO 125 25.654 18.816 −1.698 1.00 27.65 ATOM 468 C PRO 125 25.538 15.237 −1.578 1.00 32.62 ATOM 469 O PRO 125 26.125 15.227 −2.637 1.00 34.11 ATOM 470 N ARG 126 25.088 14.126 −0.992 1.00 33.81 ATOM 471 CA ARG 126 25.058 12.824 −1.639 1.00 35.48 ATOM 472 CB ARG 126 26.252 11.960 −1.257 1.00 35.66 ATOM 473 CG ARG 126 27.590 12.429 −1.814 1.00 40.74 ATOM 474 CD ARG 126 27.662 12.136 −3.333 1.00 46.49 ATOM 475 NE ARG 126 28.789 12.795 −3.992 1.00 49.71 ATOM 476 CZ ARG 126 28.633 13.691 −4.962 1.00 50.00 ATOM 477 NH1 ARG 126 27.420 14.023 −5.373 1.00 50.10 ATOM 478 NH2 ARG 126 29.684 14.249 −5.514 1.00 52.24 ATOM 479 C ARG 126 23.839 12.224 −1.019 1.00 35.74 ATOM 480 O ARG 126 23.717 12.209 0.215 1.00 35.29 ATOM 481 N GLY 127 22.906 11.784 −1.844 1.00 35.60 ATOM 482 CA GLY 127 21.651 11.281 −1.324 1.00 36.66 ATOM 483 C GLY 127 20.860 12.393 −0.636 1.00 37.25 ATOM 484 O GLY 127 19.951 12.126 0.145 1.00 38.77 ATOM 485 N GLY 128 21.194 13.639 −0.945 1.00 36.25 ATOM 486 CA GLY 128 20.437 14.786 −0.459 1.00 35.01 ATOM 487 C GLY 128 20.889 15.347 0.894 1.00 33.50 ATOM 488 O GLY 128 20.235 16.234 1.416 1.00 35.01 ATOM 489 N ILE 129 21.996 14.842 1.418 1.00 31.65 ATOM 490 CA ILE 129 22.569 15.210 2.690 1.00 30.62 ATOM 491 CB ILE 129 22.510 14.030 3.690 1.00 31.63 ATOM 492 CG1 ILE 129 21.053 13.686 3.976 1.00 31.67 ATOM 493 CD1 ILE 129 20.910 12.395 4.529 1.00 35.41 ATOM 494 CG2 ILE 129 23.198 14.424 5.039 1.00 30.84 ATOM 495 C ILE 129 24.007 15.575 2.539 1.00 29.88 ATOM 496 O ILE 129 24.746 14.853 1.897 1.00 29.04 ATOM 497 N SER 130 24.420 16.696 3.150 1.00 29.92 ATOM 498 CA SER 130 25.813 17.108 3.127 1.00 29.06 ATOM 499 CB SER 130 25.942 18.531 2.587 1.00 27.81 ATOM 500 OG SER 130 24.950 19.325 3.159 1.00 25.44 ATOM 501 C SER 130 26.339 16.981 4.545 1.00 29.57 ATOM 502 O SER 130 25.549 17.105 5.486 1.00 31.56 ATOM 503 N ILE 131 27.643 16.727 4.677 1.00 29.08 ATOM 504 CA ILE 131 28.347 16.477 5.934 1.00 28.86 ATOM 505 CB ILE 131 29.062 15.128 5.881 1.00 28.88 ATOM 506 CG1 ILE 131 27.996 14.028 5.706 1.00 30.52 ATOM 507 CD1 ILE 131 28.518 12.706 5.421 1.00 32.39 ATOM 508 CG2 ILE 131 29.866 14.825 7.155 1.00 25.09 ATOM 509 C ILE 131 29.336 17.622 6.071 1.00 29.72 ATOM 510 O ILE 131 30.064 17.899 5.117 1.00 30.15 ATOM 511 N ASN 164 20.552 22.746 −0.945 1.00 35.87 ATOM 512 CA ASN 164 21.113 21.845 −1.951 1.00 37.23 ATOM 513 CB ASN 164 20.407 20.477 −1.955 1.00 36.18 ATOM 514 CG ASN 164 20.831 19.627 −0.771 1.00 38.54 ATOM 515 OD1 ASN 164 21.710 20.043 0.018 1.00 35.02 ATOM 516 ND2 ASN 164 20.212 18.444 −0.619 1.00 36.60 ATOM 517 C ASN 164 21.225 22.470 −3.341 1.00 37.19 ATOM 518 O ASN 164 21.469 21.790 −4.323 1.00 37.79 ATOM 519 O6 GDQ 201 51.673 34.977 1.685 1.00 47.86 ATOM 520 C6 GDQ 201 51.979 33.654 1.751 1.00 49.13 ATOM 521 N1 GDQ 201 51.693 32.967 2.883 1.00 48.48 ATOM 522 C5 GDQ 201 52.577 32.974 0.668 1.00 50.29 ATOM 523 C7 GDQ 201 53.031 33.252 −0.628 1.00 49.19 ATOM 524 C77 GDQ 201 52.946 34.470 −1.174 1.00 49.79 ATOM 525 N77 GDQ 201 52.924 35.622 −1.582 1.00 52.99 ATOM 526 C8 GDQ 201 53.562 32.149 −1.273 1.00 48.54 ATOM 527 N9 GDQ 201 53.432 31.139 −0.353 1.00 49.38 ATOM 528 C4 GDQ 201 52.867 31.624 0.805 1.00 49.87 ATOM 529 N3 GDQ 201 52.561 30.957 1.960 1.00 49.70 ATOM 530 C2 GDQ 201 51.970 31.654 2.984 1.00 48.62 ATOM 531 N2 GDQ 201 51.652 31.039 4.142 1.00 49.10 ATOM 532 O HOH 29 17.895 15.590 3.291 1.00 31.47 ATOM 533 O HOH 50 11.133 11.719 4.314 1.00 34.62 ATOM 534 O HOH 66 11.339 11.105 1.461 1.00 37.21 ATOM 535 O HOH 81 42.003 17.079 −3.720 1.00 28.53 ATOM 536 O HOH 85 30.743 15.579 −2.201 1.00 40.55 ATOM 537 O HOH 108 11.807 19.103 2.222 1.00 36.21 ATOM 538 O HOH 114 22.262 21.773 −6.977 1.00 52.76 ATOM 539 O HOH 139 28.479 15.194 1.945 1.00 28.22 ATOM 540 O HOH 177 16.576 11.182 3.619 1.00 41.52 ATOM 541 O HOH 179 36.242 13.883 −1.120 1.00 53.82 ATOM 542 O HOH 183 26.577 12.855 2.470 1.00 36.87 ATOM 543 O HOH 201 22.092 3.726 −3.164 1.00 65.86 ATOM 544 O HOH 208 36.855 11.249 0.943 1.00 48.14 ATOM 545 O HOH 215 22.133 14.628 −3.438 1.00 33.08 ATOM 546 O HOH 255 42.193 7.641 −7.705 1.00 54.17 ATOM 547 N ASN 21 33.459 −0.108 −10.354 1.00 76.18 ATOM 548 CA ASN 21 34.628 0.742 −10.764 1.00 76.06 ATOM 549 CB ASN 21 35.644 −0.091 −11.570 1.00 76.90 ATOM 550 CG ASN 21 36.765 −0.698 −10.687 1.00 78.87 ATOM 551 OD1 ASN 21 37.351 −0.010 −9.827 1.00 79.27 ATOM 552 ND2 ASN 21 37.071 −1.987 −10.916 1.00 78.83 ATOM 553 C ASN 21 34.248 2.030 −11.528 1.00 75.05 ATOM 554 O ASN 21 33.285 2.031 −12.306 1.00 75.14 ATOM 555 N TYR 22 35.008 3.111 −11.284 1.00 73.30 ATOM 556 CA TYR 22 34.816 4.428 −11.929 1.00 71.17 ATOM 557 CB TYR 22 34.731 5.558 −10.887 1.00 71.82 ATOM 558 CG TYR 22 33.437 5.681 −10.127 1.00 71.49 ATOM 559 CD1 TYR 22 33.225 4.953 −8.957 1.00 72.23 ATOM 560 CE1 TYR 22 32.024 5.059 −8.241 1.00 72.96 ATOM 561 CZ TYR 22 31.035 5.920 −8.690 1.00 72.71 ATOM 562 OH TYR 22 29.857 6.036 −7.988 1.00 72.62 ATOM 563 CE2 TYR 22 31.235 6.668 −9.848 1.00 73.45 ATOM 564 CD2 TYR 22 32.439 6.544 −10.557 1.00 72.44 ATOM 565 C TYR 22 35.995 4.758 −12.846 1.00 69.29 ATOM 566 O TYR 22 37.162 4.754 −12.433 1.00 69.25 ATOM 567 N LEU 23 35.688 5.069 −14.090 1.00 66.64 ATOM 568 CA LEU 23 36.707 5.467 −15.021 1.00 63.93 ATOM 569 CB LEU 23 36.216 5.239 −16.457 1.00 64.90 ATOM 570 CG LEU 23 35.492 3.898 −16.673 1.00 66.26 ATOM 571 CD1 LEU 23 34.632 3.874 −17.954 1.00 65.53 ATOM 572 CD2 LEU 23 36.484 2.689 −16.584 1.00 67.93 ATOM 573 C LEU 23 36.968 6.935 −14.768 1.00 61.09 ATOM 574 O LEU 23 36.042 7.726 −14.720 1.00 59.70 ATOM 575 N PHE 24 38.232 7.279 −14.568 1.00 58.58 ATOM 576 CA PHE 24 38.636 8.672 −14.527 1.00 56.64 ATOM 577 CB PHE 24 39.388 9.010 −13.236 1.00 56.03 ATOM 578 CG PHE 24 38.548 8.836 −11.987 1.00 56.10 ATOM 579 CD1 PHE 24 39.100 8.270 −10.828 1.00 55.47 ATOM 580 CE1 PHE 24 38.326 8.092 −9.677 1.00 54.37 ATOM 581 CZ PHE 24 36.979 8.479 −9.674 1.00 54.86 ATOM 582 CE2 PHE 24 36.414 9.043 −10.830 1.00 55.69 ATOM 583 CD2 PHE 24 37.200 9.210 −11.976 1.00 55.01 ATOM 584 C PHE 24 39.400 9.092 −15.787 1.00 55.70 ATOM 585 O PHE 24 39.868 10.247 −15.879 1.00 55.37 ATOM 586 N GLU 25 39.496 8.163 −16.755 1.00 53.85 ATOM 587 CA GLU 25 39.987 8.471 −18.115 1.00 51.90 ATOM 588 CB GLU 25 40.906 7.369 −18.661 1.00 53.16 ATOM 589 CG GLU 25 41.737 6.603 −17.647 1.00 56.60 ATOM 590 CD GLU 25 42.727 7.489 −16.928 1.00 60.77 ATOM 591 OE1 GLU 25 43.361 8.331 −17.618 1.00 60.96 ATOM 592 OE2 GLU 25 42.864 7.344 −15.672 1.00 63.56 ATOM 593 C GLU 25 38.816 8.672 −19.084 1.00 49.01 ATOM 594 O GLU 25 37.803 7.962 −19.015 1.00 48.66 ATOM 595 N TYR 26 38.982 9.605 −20.009 1.00 45.71 ATOM 596 CA TYR 26 37.901 10.049 −20.890 1.00 43.62 ATOM 597 CB TYR 26 38.475 10.999 −21.936 1.00 43.09 ATOM 598 CG TYR 26 37.537 11.400 −23.073 1.00 41.77 ATOM 599 CD1 TYR 26 37.817 10.995 −24.391 1.00 38.81 ATOM 600 CE1 TYR 26 37.008 11.374 −25.448 1.00 39.58 ATOM 601 CZ TYR 26 35.920 12.194 −25.214 1.00 42.46 ATOM 602 OH TYR 26 35.136 12.538 −26.287 1.00 42.52 ATOM 603 CE2 TYR 26 35.582 12.605 −23.905 1.00 40.19 ATOM 604 CD2 TYR 26 36.412 12.205 −22.840 1.00 37.62 ATOM 605 C TYR 26 37.085 8.938 −21.557 1.00 42.34 ATOM 606 O TYR 26 37.618 8.179 −22.345 1.00 41.66 ATOM 607 N ALA 27 35.790 8.899 −21.253 1.00 41.10 ATOM 608 CA ALA 27 34.889 7.795 −21.583 1.00 40.13 ATOM 609 CB ALA 27 34.607 6.945 −20.351 1.00 39.28 ATOM 610 C ALA 27 33.572 8.280 −22.187 1.00 40.48 ATOM 611 O ALA 27 32.531 8.246 −21.528 1.00 39.77 ATOM 612 N LYS 46 18.014 21.661 −18.442 1.00 28.21 ATOM 613 CA LYS 46 19.344 22.154 −17.967 1.00 27.33 ATOM 614 CB LYS 46 19.250 23.566 −17.363 1.00 26.71 ATOM 615 CG LYS 46 20.609 24.149 −16.907 1.00 28.68 ATOM 616 CD LYS 46 20.469 25.061 −15.738 1.00 29.59 ATOM 617 CE LYS 46 20.140 26.434 −16.132 1.00 35.72 ATOM 618 NZ LYS 46 19.260 27.137 −15.017 1.00 33.53 ATOM 619 C LYS 46 19.961 21.212 −16.961 1.00 26.64 ATOM 620 O LYS 46 19.311 20.832 −16.036 1.00 26.42 ATOM 621 N PHE 47 21.231 20.872 −17.125 1.00 27.04 ATOM 622 CA PHE 47 22.002 20.219 −16.080 1.00 26.96 ATOM 623 CB PHE 47 22.803 19.080 −16.631 1.00 27.29 ATOM 624 CG PHE 47 21.960 18.082 −17.253 1.00 32.14 ATOM 625 CD1 PHE 47 21.503 18.259 −18.556 1.00 32.34 ATOM 626 CE1 PHE 47 20.628 17.318 −19.112 1.00 34.46 ATOM 627 CZ PHE 47 20.233 16.210 −18.386 1.00 33.35 ATOM 628 CE2 PHE 47 20.686 16.021 −17.103 1.00 35.35 ATOM 629 CD2 PHE 47 21.539 16.969 −16.530 1.00 35.90 ATOM 630 C PHE 47 22.932 21.221 −15.433 1.00 26.50 ATOM 631 O PHE 47 23.702 21.905 −16.125 1.00 25.24 ATOM 632 N ASN 48 22.872 21.277 −14.098 1.00 26.57 ATOM 633 CA ASN 48 23.818 22.090 −13.318 1.00 26.60 ATOM 634 CB ASN 48 23.105 22.805 −12.153 1.00 26.14 ATOM 635 CG ASN 48 21.968 23.623 −12.606 1.00 23.57 ATOM 636 OD1 ASN 48 22.144 24.527 −13.400 1.00 28.74 ATOM 637 ND2 ASN 48 20.777 23.319 −12.137 1.00 24.59 ATOM 638 C ASN 48 24.891 21.177 −12.824 1.00 26.71 ATOM 639 O ASN 48 24.594 20.232 −12.114 1.00 26.51 ATOM 640 N CYS 49 26.151 21.456 −13.174 1.00 27.64 ATOM 641 CA CYS 49 27.228 20.505 −12.886 1.00 28.17 ATOM 642 CB CYS 49 27.752 19.885 −14.190 1.00 28.79 ATOM 643 SG CYS 49 26.467 19.250 −15.288 1.00 32.41 ATOM 644 C CYS 49 28.373 21.199 −12.156 1.00 28.06 ATOM 645 O CYS 49 29.329 21.563 −12.783 1.00 26.43 ATOM 646 N PRO 50 28.244 21.414 −10.817 1.00 28.99 ATOM 647 CA PRO 50 29.215 22.198 −10.031 1.00 29.58 ATOM 648 CB PRO 50 28.423 22.598 −8.756 1.00 29.17 ATOM 649 CG PRO 50 27.143 21.920 −8.860 1.00 29.81 ATOM 650 CD PRO 50 27.095 20.985 −9.993 1.00 28.43 ATOM 651 C PRO 50 30.454 21.446 −9.626 1.00 29.99 ATOM 652 O PRO 50 31.373 22.050 −9.096 1.00 31.25 ATOM 653 N GLU 51 30.490 20.159 −9.888 1.00 30.28 ATOM 654 CA GLU 51 31.565 19.318 −9.431 1.00 31.01 ATOM 655 CB GLU 51 30.978 18.110 −8.744 1.00 31.20 ATOM 656 CG GLU 51 30.228 18.489 −7.474 1.00 31.72 ATOM 657 CD GLU 51 29.527 17.305 −6.826 1.00 39.70 ATOM 658 OE1 GLU 51 29.698 16.149 −7.339 1.00 41.03 ATOM 659 OE2 GLU 51 28.792 17.537 −5.815 1.00 39.79 ATOM 660 C GLU 51 32.556 18.911 −10.496 1.00 30.89 ATOM 661 O GLU 51 33.223 17.903 −10.383 1.00 32.20 ATOM 662 N PHE 52 32.694 19.712 −11.534 1.00 30.63 ATOM 663 CA PHE 52 33.541 19.278 −12.624 1.00 29.27 ATOM 664 CB PHE 52 33.080 19.913 −13.946 1.00 29.89 ATOM 665 CG PHE 52 33.995 19.591 −15.114 1.00 28.40 ATOM 666 CD1 PHE 52 33.771 18.470 −15.907 1.00 28.58 ATOM 667 CE1 PHE 52 34.613 18.160 −16.983 1.00 24.69 ATOM 668 CZ PHE 52 35.662 18.968 −17.259 1.00 27.97 ATOM 669 CE2 PHE 52 35.921 20.096 −16.447 1.00 29.23 ATOM 670 CD2 PHE 52 35.079 20.397 −15.399 1.00 26.27 ATOM 671 C PHE 52 34.989 19.634 −12.337 1.00 29.10 ATOM 672 O PHE 52 35.276 20.740 −11.880 1.00 28.69 ATOM 673 N THR 53 35.879 18.664 −12.600 1.00 29.45 ATOM 674 CA THR 53 37.326 18.832 −12.507 1.00 29.09 ATOM 675 CB THR 53 37.843 18.455 −11.101 1.00 28.45 ATOM 676 OG1 THR 53 39.268 18.659 −11.054 1.00 27.24 ATOM 677 CG2 THR 53 37.484 17.025 −10.776 1.00 25.51 ATOM 678 C THR 53 38.062 18.013 −13.596 1.00 30.39 ATOM 679 O THR 53 37.605 16.954 −13.998 1.00 29.67 ATOM 680 N SER 54 39.223 18.520 −14.021 1.00 31.83 ATOM 681 CA SER 54 40.050 17.925 −15.068 1.00 33.32 ATOM 682 CB SER 54 39.542 18.318 −16.473 1.00 33.47 ATOM 683 OG SER 54 39.682 19.717 −16.684 1.00 33.23 ATOM 684 C SER 54 41.483 18.427 −14.883 1.00 34.99 ATOM 685 O SER 54 41.781 19.080 −13.905 1.00 34.15 ATOM 686 N TYR 68 27.162 24.434 −17.047 1.00 25.62 ATOM 687 CA TYR 68 25.694 24.475 −17.304 1.00 25.42 ATOM 688 CB TYR 68 25.164 25.898 −17.175 1.00 24.80 ATOM 689 CG TYR 68 25.431 26.479 −15.782 1.00 28.39 ATOM 690 CD1 TYR 68 26.548 27.288 −15.557 1.00 23.93 ATOM 691 CE1 TYR 68 26.834 27.780 −14.313 1.00 29.14 ATOM 692 CZ TYR 68 25.976 27.486 −13.225 1.00 31.13 ATOM 693 OH TYR 68 26.269 28.029 −11.975 1.00 29.59 ATOM 694 CE2 TYR 68 24.868 26.677 −13.412 1.00 30.72 ATOM 695 CD2 TYR 68 24.584 26.187 −14.695 1.00 25.51 ATOM 696 C TYR 68 25.388 23.932 −18.704 1.00 25.82 ATOM 697 O TYR 68 25.843 24.501 −19.684 1.00 26.19 ATOM 698 N GLU 79 20.682 10.441 −20.084 1.00 35.31 ATOM 699 CA GLU 79 20.374 9.934 −18.788 1.00 35.07 ATOM 700 CB GLU 79 20.443 8.403 −18.834 1.00 35.69 ATOM 701 CG GLU 79 19.819 7.740 −17.587 1.00 40.72 ATOM 702 CD GLU 79 20.763 7.697 −16.403 1.00 45.36 ATOM 703 OE1 GLU 79 21.898 7.174 −16.573 1.00 47.59 ATOM 704 OE2 GLU 79 20.366 8.175 −15.301 1.00 47.64 ATOM 705 C GLU 79 21.382 10.549 −17.819 1.00 33.69 ATOM 706 O GLU 79 22.576 10.492 −18.054 1.00 31.63 ATOM 707 N SER 80 20.876 11.160 −16.743 1.00 33.31 ATOM 708 CA SER 80 21.686 11.797 −15.691 1.00 33.28 ATOM 709 CB SER 80 20.825 12.048 −14.496 1.00 33.95 ATOM 710 OG SER 80 19.724 12.802 −14.928 1.00 40.59 ATOM 711 C SER 80 22.879 11.082 −15.138 1.00 33.46 ATOM 712 O SER 80 23.969 11.685 −15.044 1.00 33.68 ATOM 713 N LYS 81 22.674 9.833 −14.689 1.00 33.65 ATOM 714 CA LYS 81 23.746 9.101 −14.082 1.00 34.76 ATOM 715 CB LYS 81 23.286 7.762 −13.541 1.00 35.65 ATOM 716 CG LYS 81 24.459 6.850 −12.985 1.00 39.18 ATOM 717 CD LYS 81 23.934 5.491 −12.479 1.00 39.66 ATOM 718 CE LYS 81 22.649 5.673 −11.558 1.00 48.39 ATOM 719 NZ LYS 81 21.950 4.385 −11.039 1.00 47.55 ATOM 720 C LYS 81 24.832 8.904 −15.108 1.00 33.64 ATOM 721 O LYS 81 26.018 8.969 −14.759 1.00 33.95 ATOM 722 N SER 82 24.439 8.685 −16.375 1.00 32.20 ATOM 723 CA SER 82 25.451 8.482 −17.407 1.00 30.55 ATOM 724 CB SER 82 24.873 7.875 −18.701 1.00 30.70 ATOM 725 OG SER 82 24.075 8.782 −19.453 1.00 29.50 ATOM 726 C SER 82 26.225 9.779 −17.669 1.00 29.19 ATOM 727 O SER 82 27.437 9.769 −17.849 1.00 27.98 ATOM 728 N LEU 83 25.517 10.889 −17.676 1.00 28.73 ATOM 729 CA LEU 83 26.182 12.174 −17.749 1.00 29.29 ATOM 730 CB LEU 83 25.109 13.278 −17.815 1.00 30.66 ATOM 731 CG LEU 83 25.876 14.598 −17.889 1.00 28.90 ATOM 732 CD1 LEU 83 26.652 14.682 −19.214 1.00 26.97 ATOM 733 CD2 LEU 83 24.926 15.718 −17.690 1.00 25.69 ATOM 734 C LEU 83 27.194 12.387 −16.572 1.00 29.47 ATOM 735 O LEU 83 28.380 12.727 −16.797 1.00 28.25 ATOM 736 N LYS 84 26.768 12.082 −15.336 1.00 29.53 ATOM 737 CA LYS 84 27.686 12.159 −14.205 1.00 29.62 ATOM 738 CB LYS 84 26.961 11.851 −12.893 1.00 30.52 ATOM 739 CG LYS 84 27.870 11.504 −11.707 1.00 33.47 ATOM 740 CD LYS 84 27.113 10.728 −10.637 1.00 38.12 ATOM 741 CE LYS 84 27.312 9.244 −10.827 1.00 42.09 ATOM 742 NZ LYS 84 26.733 8.490 −9.687 1.00 45.75 ATOM 743 C LYS 84 28.956 11.317 −14.370 1.00 29.83 ATOM 744 O LYS 84 30.079 11.780 −14.130 1.00 28.57 ATOM 745 N LEU 85 28.800 10.068 −14.780 1.00 30.73 ATOM 746 CA LEU 85 30.015 9.229 −14.980 1.00 31.39 ATOM 747 CB LEU 85 29.638 7.776 −15.241 1.00 32.27 ATOM 748 CG LEU 85 28.709 7.188 −14.200 1.00 34.28 ATOM 749 CD1 LEU 85 28.089 5.873 −14.722 1.00 36.91 ATOM 750 CD2 LEU 85 29.605 7.009 −12.958 1.00 35.13 ATOM 751 C LEU 85 30.865 9.747 −16.132 1.00 30.61 ATOM 752 O LEU 85 32.105 9.711 −16.110 1.00 31.60 ATOM 753 N TYR 86 30.192 10.238 −17.143 1.00 30.00 ATOM 754 CA TYR 86 30.887 10.870 −18.243 1.00 30.34 ATOM 755 CB TYR 86 29.885 11.306 −19.311 1.00 29.45 ATOM 756 CG TYR 86 30.523 12.095 −20.378 1.00 28.30 ATOM 757 CD1 TYR 86 31.493 11.521 −21.231 1.00 25.94 ATOM 758 CE1 TYR 86 32.115 12.328 −22.295 1.00 26.67 ATOM 759 CZ TYR 86 31.688 13.673 −22.458 1.00 27.51 ATOM 760 OH TYR 86 32.247 14.525 −23.393 1.00 30.54 ATOM 761 CE2 TYR 86 30.703 14.208 −21.630 1.00 28.71 ATOM 762 CD2 TYR 86 30.147 13.415 −20.573 1.00 29.33 ATOM 763 C TYR 86 31.763 12.041 −17.785 1.00 29.86 ATOM 764 O TYR 86 32.939 12.103 −18.107 1.00 30.59 ATOM 765 N LEU 87 31.177 12.983 −17.056 1.00 30.90 ATOM 766 CA LEU 87 31.934 14.120 −16.504 1.00 29.69 ATOM 767 CB LEU 87 30.992 15.115 −15.844 1.00 29.57 ATOM 768 CG LEU 87 30.012 15.779 −16.831 1.00 29.35 ATOM 769 CD1 LEU 87 29.259 16.824 −16.088 1.00 26.50 ATOM 770 CD2 LEU 87 30.689 16.404 −18.072 1.00 22.21 ATOM 771 C LEU 87 32.984 13.654 −15.540 1.00 29.49 ATOM 772 O LEU 87 34.080 14.202 −15.518 1.00 29.08 ATOM 773 N PHE 88 32.684 12.609 −14.763 1.00 31.41 ATOM 774 CA PHE 88 33.720 12.019 −13.893 1.00 33.88 ATOM 775 CB PHE 88 33.166 10.904 −12.971 1.00 36.10 ATOM 776 CG PHE 88 32.387 11.445 −11.731 1.00 37.70 ATOM 777 CD1 PHE 88 31.562 10.599 −10.979 1.00 38.15 ATOM 778 CE1 PHE 88 30.836 11.101 −9.892 1.00 37.93 ATOM 779 CZ PHE 88 30.927 12.478 −9.525 1.00 39.92 ATOM 780 CE2 PHE 88 31.737 13.344 −10.250 1.00 38.80 ATOM 781 CD2 PHE 88 32.458 12.815 −11.371 1.00 40.71 ATOM 782 C PHE 88 34.934 11.508 −14.662 1.00 33.94 ATOM 783 O PHE 88 36.033 11.528 −14.107 1.00 34.36 ATOM 784 N SER 89 34.747 11.092 −15.938 1.00 32.64 ATOM 785 CA SER 89 35.850 10.524 −16.721 1.00 32.27 ATOM 786 CB SER 89 35.315 9.674 −17.889 1.00 31.84 ATOM 787 OG SER 89 34.887 10.500 −18.968 1.00 32.07 ATOM 788 C SER 89 36.866 11.579 −17.208 1.00 32.06 ATOM 789 O SER 89 37.883 11.255 −17.835 1.00 32.05 ATOM 790 N PHE 90 36.598 12.841 −16.920 1.00 31.68 ATOM 791 CA PHE 90 37.586 13.893 −17.143 1.00 31.27 ATOM 792 CB PHE 90 36.868 15.205 −17.417 1.00 31.63 ATOM 793 CG PHE 90 36.293 15.296 −18.812 1.00 33.46 ATOM 794 CD1 PHE 90 35.051 14.751 −19.103 1.00 29.46 ATOM 795 CE1 PHE 90 34.507 14.828 −20.413 1.00 33.96 ATOM 796 CZ PHE 90 35.202 15.479 −21.410 1.00 32.50 ATOM 797 CE2 PHE 90 36.470 16.063 −21.121 1.00 36.46 ATOM 798 CD2 PHE 90 36.996 15.961 −19.816 1.00 36.25 ATOM 799 C PHE 90 38.547 14.096 −15.996 1.00 30.99 ATOM 800 O PHE 90 39.526 14.874 −16.107 1.00 30.59 ATOM 801 N ARG 91 38.271 13.421 −14.882 1.00 32.06 ATOM 802 CA ARG 91 38.997 13.676 −13.629 1.00 33.93 ATOM 803 CB ARG 91 38.472 12.805 −12.498 1.00 32.54 ATOM 804 CG ARG 91 39.024 13.175 −11.117 1.00 33.90 ATOM 805 CD ARG 91 38.617 12.107 −10.100 1.00 31.62 ATOM 806 NE ARG 91 38.983 12.438 −8.724 1.00 35.99 ATOM 807 CZ ARG 91 38.359 13.330 −7.943 1.00 34.09 ATOM 808 NH1 ARG 91 37.328 14.066 −8.410 1.00 31.27 ATOM 809 NH2 ARG 91 38.786 13.505 −6.680 1.00 32.64 ATOM 810 C ARG 91 40.505 13.569 −13.797 1.00 35.44 ATOM 811 O ARG 91 41.239 14.389 −13.295 1.00 34.63 ATOM 812 N ASN 164 37.282 36.882 −7.815 1.00 38.98 ATOM 813 CA ASN 164 37.987 35.694 −7.304 1.00 38.32 ATOM 814 CB ASN 164 39.470 35.729 −7.673 1.00 37.51 ATOM 815 CG ASN 164 39.710 35.902 −9.190 1.00 38.10 ATOM 816 OD1 ASN 164 38.812 35.677 −10.019 1.00 33.68 ATOM 817 ND2 ASN 164 40.917 36.338 −9.540 1.00 34.99 ATOM 818 C ASN 164 37.759 35.327 −5.817 1.00 38.77 ATOM 819 O ASN 164 38.607 34.631 −5.192 1.00 39.55 ATOM 820 O3S G6S 202 25.228 7.156 −0.711 1.00 0.87 ATOM 821 S G6S 202 24.140 7.170 −1.721 1.00 0.84 ATOM 822 O1S G6S 202 23.587 8.544 −1.720 1.00 0.00 ATOM 823 O2S G6S 202 23.066 6.241 −1.294 1.00 0.46 ATOM 824 O6 G6S 202 24.663 6.717 −3.235 1.00 0.15 ATOM 825 C6 G6S 202 23.766 6.323 −4.298 1.00 0.76 ATOM 826 C5 G6S 202 23.925 7.099 −5.632 1.00 0.20 ATOM 827 O5 G6S 202 24.958 8.110 −5.607 1.00 0.47 ATOM 828 C4 G6S 202 22.589 7.668 −6.182 1.00 0.65 ATOM 829 O4 G6S 202 21.479 6.824 −5.790 1.00 0.12 ATOM 830 C3 G6S 202 22.266 9.154 −5.851 1.00 0.92 ATOM 831 O3 G6S 202 21.301 9.260 −4.786 1.00 0.71 ATOM 832 C2 G6S 202 23.491 10.053 −5.570 1.00 0.85 ATOM 833 O2 G6S 202 23.130 11.219 −4.806 1.00 0.58 ATOM 834 C1 G6S 202 24.628 9.302 −4.878 1.00 0.56 ATOM 835 O1 G6S 202 25.782 10.136 −4.800 1.00 0.12 ATOM 836 N PHE 52 7.330 20.172 −3.999 1.00 30.57 ATOM 837 CA PHE 52 7.115 19.057 −4.901 1.00 29.32 ATOM 838 CB PHE 52 7.335 19.473 −6.352 1.00 29.38 ATOM 839 CG PHE 52 7.031 18.379 −7.317 1.00 28.90 ATOM 840 CD1 PHE 52 5.710 18.132 −7.694 1.00 25.64 ATOM 841 CE1 PHE 52 5.418 17.123 −8.596 1.00 26.75 ATOM 842 CZ PHE 52 6.428 16.306 −9.069 1.00 25.36 ATOM 843 CE2 PHE 52 7.761 16.528 −8.677 1.00 28.36 ATOM 844 CD2 PHE 52 8.053 17.550 −7.797 1.00 26.05 ATOM 845 C PHE 52 8.028 17.908 −4.571 1.00 29.42 ATOM 846 O PHE 52 9.190 18.137 −4.241 1.00 29.42 ATOM 847 N THR 53 7.516 16.681 −4.681 1.00 28.87 ATOM 848 CA THR 53 8.308 15.473 −4.491 1.00 29.86 ATOM 849 CB THR 53 8.548 15.137 −2.965 1.00 29.43 ATOM 850 OG1 THR 53 9.489 14.096 −2.864 1.00 29.24 ATOM 851 CG2 THR 53 7.302 14.617 −2.244 1.00 29.41 ATOM 852 C THR 53 7.713 14.273 −5.284 1.00 30.60 ATOM 853 O THR 53 6.502 14.205 −5.474 1.00 31.11 ATOM 854 N SER 54 8.569 13.376 −5.779 1.00 31.90 ATOM 855 CA SER 54 8.156 12.168 −6.505 1.00 34.24 ATOM 856 CB SER 54 7.718 12.471 −7.964 1.00 33.85 ATOM 857 OG SER 54 8.699 13.156 −8.732 1.00 34.45 ATOM 858 C SER 54 9.275 11.150 −6.504 1.00 36.26 ATOM 859 O SER 54 10.237 11.282 −5.766 1.00 36.99 ATOM 860 N LEU 55 9.160 10.144 −7.362 1.00 38.76 ATOM 861 CA LEU 55 10.036 9.000 −7.332 1.00 40.65 ATOM 862 CB LEU 55 9.193 7.752 −7.008 1.00 40.22 ATOM 863 CG LEU 55 8.468 7.679 −5.640 1.00 39.91 ATOM 864 CD1 LEU 55 7.713 6.395 −5.450 1.00 36.87 ATOM 865 CD2 LEU 55 9.450 7.845 −4.483 1.00 37.75 ATOM 866 C LEU 55 10.791 8.809 −8.640 1.00 42.66 ATOM 867 O LEU 55 10.261 9.104 −9.710 1.00 42.18 ATOM 868 N CYS 56 12.031 8.319 −8.535 1.00 45.64 ATOM 869 CA CYS 56 12.835 7.864 −9.676 1.00 47.46 ATOM 870 CB CYS 56 14.227 7.483 −9.179 1.00 47.73 ATOM 871 SG CYS 56 15.444 7.053 −10.461 1.00 49.73 ATOM 872 C CYS 56 12.137 6.611 −10.236 1.00 49.16 ATOM 873 O CYS 56 11.838 5.695 −9.460 1.00 48.69 ATOM 874 N PRO 57 11.858 6.565 −11.566 1.00 50.23 ATOM 875 CA PRO 57 11.045 5.455 −12.077 1.00 51.27 ATOM 876 CB PRO 57 10.714 5.884 −13.509 1.00 50.81 ATOM 877 CG PRO 57 11.823 6.746 −13.897 1.00 49.99 ATOM 878 CD PRO 57 12.271 7.470 −12.652 1.00 50.40 ATOM 879 C PRO 57 11.765 4.087 −12.045 1.00 52.30 ATOM 880 O PRO 57 11.108 3.063 −11.961 1.00 52.64 ATOM 881 N LYS 58 13.091 4.078 −12.075 1.00 54.16 ATOM 882 CA LYS 58 13.835 2.818 −12.039 1.00 56.16 ATOM 883 CB LYS 58 15.118 2.867 −12.894 1.00 57.06 ATOM 884 CG LYS 58 15.178 1.704 −13.922 1.00 60.28 ATOM 885 CD LYS 58 16.562 1.028 −14.025 1.00 64.21 ATOM 886 CE LYS 58 16.570 −0.023 −15.154 1.00 64.13 ATOM 887 NZ LYS 58 17.852 0.053 −15.959 1.00 65.58 ATOM 888 C LYS 58 14.119 2.371 −10.592 1.00 56.38 ATOM 889 O LYS 58 13.544 1.385 −10.140 1.00 57.38 ATOM 890 N VAL 59 14.980 3.090 −9.862 1.00 56.15 ATOM 891 CA VAL 59 15.125 2.881 −8.403 1.00 55.14 ATOM 892 CB VAL 59 16.354 3.613 −7.855 1.00 55.05 ATOM 893 CG1 VAL 59 17.567 3.313 −8.722 1.00 55.49 ATOM 894 CG2 VAL 59 16.113 5.093 −7.809 1.00 54.75 ATOM 895 C VAL 59 13.868 3.414 −7.724 1.00 54.81 ATOM 896 O VAL 59 13.095 4.161 −8.326 1.00 55.98 ATOM 897 N GLY 60 13.602 3.067 −6.485 1.00 53.64 ATOM 898 CA GLY 60 12.399 3.694 −5.914 1.00 52.33 ATOM 899 C GLY 60 12.601 5.085 −5.306 1.00 50.31 ATOM 900 O GLY 60 11.699 5.596 −4.674 1.00 50.01 ATOM 901 N GLN 61 13.776 5.681 −5.486 1.00 48.88 ATOM 902 CA GLN 61 14.218 6.826 −4.661 1.00 49.29 ATOM 903 CB GLN 61 15.717 7.067 −4.820 1.00 49.10 ATOM 904 CG GLN 61 16.574 5.907 −4.353 1.00 53.70 ATOM 905 CD GLN 61 18.071 6.264 −4.164 1.00 55.70 ATOM 906 OE1 GLN 61 18.971 5.517 −4.639 1.00 62.01 ATOM 907 NE2 GLN 61 18.347 7.412 −3.477 1.00 60.03 ATOM 908 C GLN 61 13.444 8.130 −4.919 1.00 45.89 ATOM 909 O GLN 61 13.137 8.434 −6.070 1.00 45.98 ATOM 910 N PRO 62 13.128 8.900 −3.843 1.00 43.29 ATOM 911 CA PRO 62 12.434 10.187 −3.947 1.00 40.15 ATOM 912 CB PRO 62 12.082 10.522 −2.493 1.00 40.40 ATOM 913 CG PRO 62 12.296 9.288 −1.722 1.00 40.75 ATOM 914 CD PRO 62 13.379 8.555 −2.429 1.00 43.04 ATOM 915 C PRO 62 13.298 11.299 −4.515 1.00 37.93 ATOM 916 O PRO 62 14.526 11.334 −4.285 1.00 37.34 ATOM 917 N ASP 63 12.649 12.187 −5.259 1.00 34.80 ATOM 918 CA ASP 63 13.273 13.405 −5.768 1.00 34.59 ATOM 919 CB ASP 63 13.275 13.490 −7.300 1.00 35.69 ATOM 920 CG ASP 63 13.948 12.307 −7.986 1.00 43.45 ATOM 921 OD1 ASP 63 15.016 11.811 −7.513 1.00 49.93 ATOM 922 OD2 ASP 63 13.374 11.864 −9.032 1.00 50.25 ATOM 923 C ASP 63 12.435 14.578 −5.275 1.00 31.59 ATOM 924 O ASP 63 11.294 14.416 −4.865 1.00 29.24 ATOM 925 N PHE 64 13.014 15.763 −5.330 1.00 30.47 ATOM 926 CA PHE 64 12.378 16.955 −4.755 1.00 28.47 ATOM 927 CB PHE 64 12.991 17.243 −3.371 1.00 28.12 ATOM 928 CG PHE 64 12.738 16.141 −2.353 1.00 28.68 ATOM 929 CD1 PHE 64 13.505 14.982 −2.352 1.00 30.31 ATOM 930 CE1 PHE 64 13.273 13.974 −1.430 1.00 31.76 ATOM 931 CZ PHE 64 12.219 14.114 −0.479 1.00 27.12 ATOM 932 CE2 PHE 64 11.440 15.255 −0.481 1.00 30.78 ATOM 933 CD2 PHE 64 11.708 16.272 −1.407 1.00 30.18 ATOM 934 C PHE 64 12.624 18.114 −5.682 1.00 27.63 ATOM 935 O PHE 64 13.672 18.177 −6.289 1.00 28.69 ATOM 936 N ALA 65 11.702 19.079 −5.722 1.00 26.33 ATOM 937 CA ALA 65 11.841 20.200 −6.558 1.00 25.69 ATOM 938 CB ALA 65 11.395 19.803 −8.065 1.00 24.22 ATOM 939 C ALA 65 11.015 21.374 −6.057 1.00 25.67 ATOM 940 O ALA 65 10.082 21.217 −5.287 1.00 26.66 ATOM 941 N PHE 90 1.707 13.210 −7.013 1.00 36.34 ATOM 942 CA PHE 90 2.955 12.654 −7.548 1.00 35.88 ATOM 943 CB PHE 90 3.758 13.751 −8.270 1.00 35.55 ATOM 944 CG PHE 90 3.158 14.178 −9.560 1.00 34.96 ATOM 945 CD1 PHE 90 2.061 15.036 −9.586 1.00 35.21 ATOM 946 CE1 PHE 90 1.492 15.437 −10.771 1.00 33.10 ATOM 947 CZ PHE 90 2.007 14.999 −11.945 1.00 36.55 ATOM 948 CE2 PHE 90 3.116 14.136 −11.947 1.00 38.06 ATOM 949 CD2 PHE 90 3.686 13.741 −10.755 1.00 35.73 ATOM 950 C PHE 90 3.839 11.976 −6.514 1.00 35.67 ATOM 951 O PHE 90 4.870 11.395 −6.867 1.00 35.03 ATOM 952 N ARG 91 3.458 12.078 −5.241 1.00 35.48 ATOM 953 CA ARG 91 4.306 11.618 −4.127 1.00 36.26 ATOM 954 CB ARG 91 3.649 11.953 −2.744 1.00 35.68 ATOM 955 CG ARG 91 4.513 11.598 −1.534 1.00 32.43 ATOM 956 CD ARG 91 3.763 11.666 −0.137 1.00 36.20 ATOM 957 NE ARG 91 4.166 12.896 0.530 1.00 44.24 ATOM 958 CZ ARG 91 5.096 13.015 1.467 1.00 42.01 ATOM 959 NH1 ARG 91 5.701 11.992 1.989 1.00 41.45 ATOM 960 NH2 ARG 91 5.393 14.200 1.908 1.00 50.38 ATOM 961 C ARG 91 4.763 10.163 −4.216 1.00 37.67 ATOM 962 O ARG 91 5.911 9.855 −3.931 1.00 36.52 ATOM 963 N ASN 92 3.889 9.236 −4.598 1.00 41.48 ATOM 964 CA ASN 92 4.404 7.866 −4.788 1.00 45.39 ATOM 965 CB ASN 92 3.967 6.913 −3.650 1.00 46.29 ATOM 966 CG ASN 92 4.498 7.413 −2.219 1.00 52.03 ATOM 967 OD1 ASN 92 5.727 7.314 −1.880 1.00 52.31 ATOM 968 ND2 ASN 92 3.567 7.994 −1.410 1.00 53.50 ATOM 969 C ASN 92 4.379 7.357 −6.270 1.00 46.62 ATOM 970 O ASN 92 4.216 6.171 −6.580 1.00 47.65 ATOM 971 N HIS 93 4.666 8.308 −7.156 1.00 47.52 ATOM 972 CA HIS 93 4.678 8.144 −8.608 1.00 48.56 ATOM 973 CB HIS 93 3.746 9.178 −9.224 1.00 48.57 ATOM 974 CG HIS 93 3.610 9.064 −10.706 1.00 52.23 ATOM 975 ND1 HIS 93 4.266 9.906 −11.583 1.00 54.40 ATOM 976 CE1 HIS 93 3.956 9.576 −12.824 1.00 55.42 ATOM 977 NE2 HIS 93 3.121 8.551 −12.784 1.00 57.29 ATOM 978 CD2 HIS 93 2.893 8.205 −11.471 1.00 54.08 ATOM 979 C HIS 93 6.075 8.314 −9.213 1.00 48.30 ATOM 980 O HIS 93 6.751 9.351 −9.002 1.00 48.07 ATOM 981 N GLY 94 6.479 7.303 −9.983 1.00 47.98 ATOM 982 CA GLY 94 7.767 7.282 −10.690 1.00 48.09 ATOM 983 C GLY 94 7.704 7.850 −12.120 1.00 48.30 ATOM 984 O GLY 94 6.779 7.541 −12.899 1.00 48.30 ATOM 985 N ASP 95 8.687 8.696 −12.443 1.00 47.87 ATOM 986 CA ASP 95 8.848 9.387 −13.742 1.00 47.26 ATOM 987 CB ASP 95 7.628 10.225 −14.157 1.00 47.30 ATOM 988 CG ASP 95 6.784 9.558 −15.288 1.00 53.37 ATOM 989 OD1 ASP 95 7.273 8.604 −15.981 1.00 57.20 ATOM 990 OD2 ASP 95 5.609 9.987 −15.488 1.00 56.37 ATOM 991 C ASP 95 10.071 10.267 −13.644 1.00 45.93 ATOM 992 O ASP 95 10.387 10.788 −12.566 1.00 44.85 ATOM 993 N PHE 96 10.769 10.390 −14.770 1.00 45.16 ATOM 994 CA PHE 96 11.852 11.370 −14.959 1.00 44.14 ATOM 995 CB PHE 96 12.578 11.122 −16.292 1.00 45.17 ATOM 996 CG PHE 96 13.279 9.775 −16.392 1.00 46.90 ATOM 997 CD1 PHE 96 13.045 8.941 −17.476 1.00 50.69 ATOM 998 CE1 PHE 96 13.710 7.707 −17.596 1.00 51.94 ATOM 999 CZ PHE 96 14.608 7.310 −16.604 1.00 50.11 ATOM 1000 CE2 PHE 96 14.843 8.156 −15.528 1.00 50.44 ATOM 1001 CD2 PHE 96 14.193 9.365 −15.435 1.00 48.33 ATOM 1002 C PHE 96 11.331 12.827 −14.886 1.00 42.30 ATOM 1003 O PHE 96 10.144 13.099 −15.145 1.00 41.46 ATOM 1004 N HIS 97 12.215 13.760 −14.524 1.00 40.24 ATOM 1005 CA HIS 97 11.772 15.102 −14.185 1.00 38.57 ATOM 1006 CB HIS 97 12.905 15.960 −13.601 1.00 38.59 ATOM 1007 CG HIS 97 13.675 15.281 −12.526 1.00 39.30 ATOM 1008 ND1 HIS 97 13.116 14.332 −11.698 1.00 39.03 ATOM 1009 CE1 HIS 97 14.043 13.877 −10.879 1.00 39.99 ATOM 1010 NE2 HIS 97 15.181 14.490 −11.146 1.00 39.16 ATOM 1011 CD2 HIS 97 14.976 15.379 −12.165 1.00 41.09 ATOM 1012 C HIS 97 11.218 15.785 −15.398 1.00 37.66 ATOM 1013 O HIS 97 10.210 16.523 −15.301 1.00 35.95 ATOM 1014 N TRP 120 8.388 25.538 −14.982 1.00 26.32 ATOM 1015 CA TRP 120 9.813 25.399 −14.737 1.00 25.22 ATOM 1016 CB TRP 120 10.424 26.775 −14.661 1.00 24.66 ATOM 1017 CG TRP 120 11.892 26.868 −14.809 1.00 23.83 ATOM 1018 CD1 TRP 120 12.784 25.874 −14.748 1.00 24.59 ATOM 1019 NE1 TRP 120 14.058 26.384 −14.953 1.00 29.40 ATOM 1020 CE2 TRP 120 13.977 27.743 −15.127 1.00 24.59 ATOM 1021 CD2 TRP 120 12.625 28.084 −15.043 1.00 22.94 ATOM 1022 CE3 TRP 120 12.238 29.431 −15.273 1.00 25.61 ATOM 1023 CZ3 TRP 120 13.242 30.390 −15.506 1.00 25.81 ATOM 1024 CH2 TRP 120 14.604 30.006 −15.545 1.00 21.59 ATOM 1025 CZ2 TRP 120 14.985 28.690 −15.398 1.00 22.78 ATOM 1026 C TRP 120 10.062 24.686 −13.424 1.00 25.58 ATOM 1027 O TRP 120 9.641 25.157 −12.353 1.00 24.48 ATOM 1028 N GLY 121 10.730 23.550 −13.517 1.00 24.73 ATOM 1029 CA GLY 121 11.036 22.759 −12.381 1.00 25.93 ATOM 1030 C GLY 121 12.512 22.825 −12.093 1.00 27.00 ATOM 1031 O GLY 121 13.337 22.830 −13.011 1.00 27.37 ATOM 1032 N LYS 122 12.847 22.862 −10.810 1.00 26.41 ATOM 1033 CA LYS 122 14.222 22.975 −10.371 1.00 26.76 ATOM 1034 CB LYS 122 14.463 24.416 −9.849 1.00 27.37 ATOM 1035 CG LYS 122 14.261 25.493 −10.944 1.00 25.44 ATOM 1036 CD LYS 122 14.611 26.857 −10.438 1.00 27.60 ATOM 1037 CE LYS 122 14.324 27.863 −11.504 1.00 31.63 ATOM 1038 NZ LYS 122 15.191 29.054 −11.424 1.00 40.28 ATOM 1039 C LYS 122 14.475 21.956 −9.292 1.00 26.44 ATOM 1040 O LYS 122 14.057 22.145 −8.143 1.00 27.76 ATOM 1041 N PHE 123 15.133 20.872 −9.658 1.00 26.32 ATOM 1042 CA PHE 123 15.271 19.692 −8.821 1.00 26.09 ATOM 1043 CB PHE 123 15.259 18.400 −9.661 1.00 25.12 ATOM 1044 CG PHE 123 13.884 17.972 −10.036 1.00 24.90 ATOM 1045 CD1 PHE 123 13.183 18.660 −11.034 1.00 22.78 ATOM 1046 CE1 PHE 123 11.819 18.322 −11.337 1.00 26.27 ATOM 1047 CZ PHE 123 11.217 17.263 −10.649 1.00 27.25 ATOM 1048 CE2 PHE 123 11.945 16.549 −9.655 1.00 25.30 ATOM 1049 CD2 PHE 123 13.255 16.916 −9.350 1.00 24.32 ATOM 1050 C PHE 123 16.527 19.776 −8.017 1.00 27.81 ATOM 1051 O PHE 123 17.421 20.522 −8.367 1.00 28.26 ATOM 1052 N THR 124 16.582 18.998 −6.927 1.00 28.52 ATOM 1053 CA THR 124 17.764 18.934 −6.071 1.00 28.16 ATOM 1054 CB THR 124 17.361 18.521 −4.602 1.00 28.66 ATOM 1055 OG1 THR 124 16.741 17.215 −4.602 1.00 24.86 ATOM 1056 CG2 THR 124 16.340 19.573 −3.994 1.00 25.85 ATOM 1057 C THR 124 18.760 17.922 −6.709 1.00 29.59 ATOM 1058 O THR 124 18.335 17.009 −7.435 1.00 29.24 ATOM 1059 N PRO 125 20.075 18.102 −6.465 1.00 29.30 ATOM 1060 CA PRO 125 20.940 17.266 −7.217 1.00 30.23 ATOM 1061 CB PRO 125 22.328 17.933 −7.045 1.00 29.73 ATOM 1062 CG PRO 125 22.262 18.602 −5.715 1.00 29.08 ATOM 1063 CD PRO 125 20.822 19.078 −5.627 1.00 28.72 ATOM 1064 C PRO 125 20.960 15.817 −6.795 1.00 31.25 ATOM 1065 O PRO 125 20.509 15.487 −5.708 1.00 31.50 ATOM 1066 N ARG 126 21.448 14.969 −7.705 1.00 32.08 ATOM 1067 CA ARG 126 21.685 13.505 −7.490 1.00 33.66 ATOM 1068 CB ARG 126 20.631 12.652 −8.230 1.00 33.84 ATOM 1069 CG ARG 126 19.476 12.105 −7.428 1.00 40.80 ATOM 1070 CD ARG 126 18.977 13.142 −6.433 1.00 49.19 ATOM 1071 NE ARG 126 17.976 12.660 −5.465 1.00 53.43 ATOM 1072 CZ ARG 126 17.923 13.067 −4.194 1.00 54.41 ATOM 1073 NH1 ARG 126 18.838 13.915 −3.728 1.00 52.21 ATOM 1074 NH2 ARG 126 16.970 12.603 −3.386 1.00 55.80 ATOM 1075 C ARG 126 23.012 13.262 −8.163 1.00 32.80 ATOM 1076 O ARG 126 23.179 13.567 −9.338 1.00 32.63 ATOM 1077 N GLY 127 23.977 12.752 −7.445 1.00 32.28 ATOM 1078 CA GLY 127 25.214 12.463 −8.064 1.00 33.33 ATOM 1079 C GLY 127 25.941 13.738 −8.406 1.00 33.71 ATOM 1080 O GLY 127 26.891 13.693 −9.168 1.00 36.24 ATOM 1081 N GLY 128 25.500 14.877 −7.865 1.00 33.07 ATOM 1082 CA GLY 128 26.223 16.146 −8.003 1.00 31.01 ATOM 1083 C GLY 128 25.654 17.027 −9.089 1.00 30.37 ATOM 1084 O GLY 128 26.122 18.125 −9.315 1.00 29.97 ATOM 1085 N ILE 129 24.597 16.557 −9.720 1.00 30.13 ATOM 1086 CA ILE 129 24.077 17.173 −10.920 1.00 30.80 ATOM 1087 CB ILE 129 24.310 16.167 −12.140 1.00 31.06 ATOM 1088 CG1 ILE 129 25.766 16.236 −12.588 1.00 31.42 ATOM 1089 CD1 ILE 129 26.105 15.244 −13.677 1.00 31.28 ATOM 1090 CG2 ILE 129 23.367 16.421 −13.309 1.00 30.12 ATOM 1091 C ILE 129 22.582 17.405 −10.679 1.00 30.22 ATOM 1092 O ILE 129 21.904 16.482 −10.335 1.00 29.71 ATOM 1093 N SER 130 22.086 18.626 −10.887 1.00 29.49 ATOM 1094 CA SER 130 20.683 18.888 −10.767 1.00 29.39 ATOM 1095 CB SER 130 20.399 20.068 −9.824 1.00 29.82 ATOM 1096 OG SER 130 21.256 21.171 −10.093 1.00 33.34 ATOM 1097 C SER 130 20.114 19.217 −12.117 1.00 28.67 ATOM 1098 O SER 130 20.801 19.736 −12.993 1.00 28.81 ATOM 1099 N ILE 131 18.831 18.968 −12.255 1.00 28.29 ATOM 1100 CA ILE 131 18.189 19.012 −13.543 1.00 28.60 ATOM 1101 CB ILE 131 17.541 17.671 −13.875 1.00 28.00 ATOM 1102 CG1 ILE 131 18.579 16.562 −13.948 1.00 29.12 ATOM 1103 CD1 ILE 131 17.962 15.267 −14.520 1.00 31.67 ATOM 1104 CG2 ILE 131 16.864 17.742 −15.240 1.00 30.30 ATOM 1105 C ILE 131 17.063 19.968 −13.484 1.00 28.51 ATOM 1106 O ILE 131 16.188 19.775 −12.665 1.00 30.21 ATOM 1107 N ASP 132 17.021 20.963 −14.361 1.00 28.50 ATOM 1108 CA ASP 132 15.918 21.903 −14.331 1.00 28.58 ATOM 1109 CB ASP 132 16.427 23.310 −13.980 1.00 28.59 ATOM 1110 CG ASP 132 17.265 23.362 −12.681 1.00 32.67 ATOM 1111 OD1 ASP 132 17.199 22.392 −11.853 1.00 33.13 ATOM 1112 OD2 ASP 132 17.973 24.403 −12.479 1.00 30.84 ATOM 1113 C ASP 132 15.181 21.979 −15.663 1.00 28.06 ATOM 1114 O ASP 132 15.518 22.831 −16.495 1.00 29.94 ATOM 1115 N ASN 164 25.314 23.402 −5.211 1.00 33.87 ATOM 1116 CA ASN 164 24.815 22.265 −4.447 1.00 34.28 ATOM 1117 CB ASN 164 25.587 20.962 −4.769 1.00 32.50 ATOM 1118 CG ASN 164 25.380 20.465 −6.207 1.00 32.82 ATOM 1119 OD1 ASN 164 24.513 20.961 −6.951 1.00 30.94 ATOM 1120 ND2 ASN 164 26.195 19.475 −6.602 1.00 29.12 ATOM 1121 C ASN 164 24.727 22.456 −2.912 1.00 34.97 ATOM 1122 O ASN 164 24.560 21.480 −2.191 1.00 35.11 ATOM 1123 O HOH 22 28.681 18.090 −11.230 1.00 32.23 ATOM 1124 O HOH 29 4.554 23.293 −3.291 1.00 31.47 ATOM 1125 O HOH 44 35.630 15.477 −13.465 1.00 22.54 ATOM 1126 O HOH 50 4.582 15.501 −4.314 1.00 34.62 ATOM 1127 O HOH 54 15.874 15.471 −6.512 1.00 43.09 ATOM 1128 O HOH 64 17.944 16.664 −10.260 1.00 28.09 ATOM 1129 O HOH 83 23.224 11.884 −11.602 1.00 34.38 ATOM 1130 O HOH 108 10.640 19.777 −2.222 1.00 36.21 ATOM 1131 O HOH 149 35.604 14.186 −10.800 1.00 40.80 ATOM 1132 O HOH 163 24.252 15.169 −5.176 1.00 33.75 ATOM 1133 O HOH 172 20.199 14.766 −11.423 1.00 32.80 ATOM 1134 O HOH 195 23.617 8.977 −9.104 1.00 49.16 ATOM 1135 O HOH 196 11.011 13.162 −8.264 1.00 40.63 ATOM 1136 O HOH 222 28.796 15.080 −10.369 1.00 44.82 ATOM 1137 O HOH 231 10.538 13.156 −11.161 1.00 47.28 TER

TABLE 8 REMARK Accelrys ViewerPro PDB file REMARK Created:   Tue Dec 14 21:17:04 Pacific Standard Time 2010 ATOM 1 N ASN 21 53.441 15.821 −13.029 1.00 75.05 ATOM 2 CA ASN 21 54.382 15.970 −11.876 1.00 75.35 ATOM 3 CB ASN 21 55.537 16.960 −12.200 1.00 75.78 ATOM 4 CG ASN 21 55.868 17.047 −13.706 1.00 76.69 ATOM 5 OD1 ASN 21 56.509 16.158 −14.276 1.00 77.28 ATOM 6 ND2 ASN 21 55.448 18.141 −14.338 1.00 76.09 ATOM 7 C ASN 21 53.627 16.447 −10.618 1.00 74.75 ATOM 8 O ASN 21 53.949 17.520 −10.072 1.00 75.08 ATOM 9 N TYR 22 52.625 15.658 −10.185 1.00 73.57 ATOM 10 CA TYR 22 51.729 15.970 −9.026 1.00 71.80 ATOM 11 CB TYR 22 50.460 16.724 −9.468 1.00 72.49 ATOM 12 CG TYR 22 50.652 18.190 −9.794 1.00 73.51 ATOM 13 CD1 TYR 22 50.840 18.614 −11.115 1.00 74.27 ATOM 14 CE1 TYR 22 51.018 19.965 −11.425 1.00 75.09 ATOM 15 CZ TYR 22 50.996 20.921 −10.406 1.00 75.52 ATOM 16 OH TYR 22 51.172 22.266 −10.718 1.00 75.39 ATOM 17 CE2 TYR 22 50.801 20.521 −9.085 1.00 75.06 ATOM 18 CD2 TYR 22 50.630 19.161 −8.788 1.00 74.99 ATOM 19 C TYR 22 51.291 14.684 −8.325 1.00 69.73 ATOM 20 O TYR 22 50.759 13.780 −8.974 1.00 69.63 ATOM 21 N LEU 23 51.504 14.607 −7.010 1.00 67.13 ATOM 22 CA LEU 23 51.041 13.461 −6.211 1.00 64.76 ATOM 23 CB LEU 23 51.904 13.280 −4.947 1.00 65.44 ATOM 24 CG LEU 23 53.413 12.965 −5.082 1.00 67.86 ATOM 25 CD1 LEU 23 54.161 13.087 −3.717 1.00 68.53 ATOM 26 CD2 LEU 23 53.689 11.593 −5.760 1.00 68.46 ATOM 27 C LEU 23 49.543 13.560 −5.847 1.00 62.18 ATOM 28 O LEU 23 49.103 14.518 −5.205 1.00 61.84 ATOM 29 N VAL 30 54.901 16.614 1.727 1.00 45.50 ATOM 30 CA VAL 30 55.013 17.847 0.919 1.00 44.60 ATOM 31 CB VAL 30 54.115 17.880 −0.357 1.00 44.72 ATOM 32 CG1 VAL 30 52.621 17.681 −0.034 1.00 44.74 ATOM 33 CG2 VAL 30 54.609 16.887 −1.365 1.00 46.76 ATOM 34 C VAL 30 54.838 19.159 1.713 1.00 43.05 ATOM 35 O VAL 30 55.304 20.211 1.285 1.00 42.14 ATOM 36 N LEU 31 54.183 19.065 2.862 1.00 42.07 ATOM 37 CA LEU 31 53.934 20.203 3.733 1.00 41.72 ATOM 38 CB LEU 31 53.133 19.736 4.955 1.00 40.32 ATOM 39 CG LEU 31 51.632 19.520 4.739 1.00 38.67 ATOM 40 CD1 LEU 31 50.936 18.916 5.980 1.00 36.74 ATOM 41 CD2 LEU 31 50.950 20.833 4.295 1.00 34.32 ATOM 42 C LEU 31 55.223 20.942 4.125 1.00 42.69 ATOM 43 O LEU 31 56.261 20.323 4.316 1.00 42.85 ATOM 44 N PHE 47 43.030 29.895 5.750 1.00 28.84 ATOM 45 CA PHE 47 43.003 29.416 4.338 1.00 29.05 ATOM 46 CB PHE 47 43.923 28.234 4.147 1.00 28.82 ATOM 47 CG PHE 47 45.348 28.542 4.493 1.00 33.70 ATOM 48 CD1 PHE 47 45.833 28.305 5.786 1.00 33.29 ATOM 49 CE1 PHE 47 47.122 28.623 6.115 1.00 37.36 ATOM 50 CZ PHE 47 47.987 29.165 5.139 1.00 36.77 ATOM 51 CE2 PHE 47 47.531 29.409 3.869 1.00 35.15 ATOM 52 CD2 PHE 47 46.197 29.114 3.551 1.00 35.97 ATOM 53 C PHE 47 41.603 29.022 3.876 1.00 29.27 ATOM 54 O PHE 47 40.930 28.211 4.513 1.00 28.82 ATOM 55 N ASN 48 41.178 29.616 2.765 1.00 29.67 ATOM 56 CA ASN 48 39.976 29.216 2.063 1.00 29.45 ATOM 57 CB ASN 48 39.246 30.429 1.531 1.00 29.55 ATOM 58 CG ASN 48 38.999 31.477 2.601 1.00 31.72 ATOM 59 OD1 ASN 48 38.243 31.244 3.561 1.00 31.64 ATOM 60 ND2 ASN 48 39.613 32.647 2.434 1.00 28.68 ATOM 61 C ASN 48 40.343 28.260 0.927 1.00 29.39 ATOM 62 O ASN 48 41.160 28.555 0.097 1.00 30.66 ATOM 63 N CYS 49 39.766 27.076 0.933 1.00 28.93 ATOM 64 CA CYS 49 40.195 26.030 0.019 1.00 28.55 ATOM 65 CB CYS 49 40.980 24.948 0.780 1.00 28.66 ATOM 66 SG CYS 49 42.229 25.609 1.975 1.00 32.73 ATOM 67 C CYS 49 38.973 25.423 −0.627 1.00 27.45 ATOM 68 O CYS 49 38.547 24.373 −0.218 1.00 27.31 ATOM 69 N PRO 50 38.389 26.109 −1.616 1.00 26.98 ATOM 70 CA PRO 50 37.168 25.674 −2.308 1.00 28.14 ATOM 71 CB PRO 50 36.719 26.925 −3.045 1.00 27.05 ATOM 72 CG PRO 50 37.742 27.955 −2.757 1.00 27.46 ATOM 73 CD PRO 50 38.919 27.349 −2.178 1.00 26.73 ATOM 74 C PRO 50 37.404 24.537 −3.335 1.00 28.93 ATOM 75 O PRO 50 36.464 24.037 −3.908 1.00 29.56 ATOM 76 N GLU 51 38.636 24.126 −3.561 1.00 28.99 ATOM 77 CA GLU 51 38.863 23.181 −4.643 1.00 30.87 ATOM 78 CB GLU 51 39.933 23.754 −5.594 1.00 29.68 ATOM 79 CG GLU 51 39.404 24.923 −6.469 1.00 30.84 ATOM 80 CD GLU 51 40.487 25.651 −7.281 1.00 32.39 ATOM 81 OE1 GLU 51 41.586 25.094 −7.441 1.00 32.62 ATOM 82 OE2 GLU 51 40.269 26.818 −7.734 1.00 37.18 ATOM 83 C GLU 51 39.238 21.808 −4.089 1.00 30.84 ATOM 84 O GLU 51 39.908 21.043 −4.739 1.00 32.13 ATOM 85 N PHE 52 38.795 21.486 −2.874 1.00 31.69 ATOM 86 CA PHE 52 39.044 20.149 −2.295 1.00 31.23 ATOM 87 CB PHE 52 38.808 20.104 −0.748 1.00 31.35 ATOM 88 CG PHE 52 39.253 18.807 −0.131 1.00 28.85 ATOM 89 CD1 PHE 52 40.608 18.567 0.122 1.00 25.99 ATOM 90 CE1 PHE 52 41.033 17.366 0.681 1.00 23.31 ATOM 91 CZ PHE 52 40.136 16.373 0.942 1.00 24.81 ATOM 92 CE2 PHE 52 38.810 16.579 0.675 1.00 27.90 ATOM 93 CD2 PHE 52 38.365 17.807 0.103 1.00 25.84 ATOM 94 C PHE 52 38.212 19.058 −2.934 1.00 30.68 ATOM 95 O PHE 52 36.997 19.208 −3.062 1.00 32.04 ATOM 96 N THR 53 38.860 17.948 −3.280 1.00 30.01 ATOM 97 CA THR 53 38.183 16.694 −3.678 1.00 29.44 ATOM 98 CB THR 53 37.840 16.658 −5.235 1.00 29.62 ATOM 99 OG1 THR 53 37.131 15.442 −5.556 1.00 29.40 ATOM 100 CG2 THR 53 39.072 16.811 −6.094 1.00 25.18 ATOM 101 C THR 53 38.990 15.457 −3.243 1.00 30.25 ATOM 102 O THR 53 40.215 15.543 −3.068 1.00 31.21 ATOM 103 N SER 54 38.300 14.356 −3.003 1.00 30.79 ATOM 104 CA SER 54 38.904 13.065 −2.708 1.00 32.95 ATOM 105 CB SER 54 39.301 12.946 −1.220 1.00 34.16 ATOM 106 OG SER 54 38.154 13.067 −0.381 1.00 35.15 ATOM 107 C SER 54 37.889 12.001 −3.016 1.00 34.08 ATOM 108 O SER 54 36.913 12.280 −3.712 1.00 33.43 ATOM 109 N ASP 63 34.310 12.988 −4.041 1.00 34.81 ATOM 110 CA ASP 63 33.615 13.918 −3.138 1.00 33.85 ATOM 111 CB ASP 63 33.883 13.641 −1.635 1.00 35.11 ATOM 112 CG ASP 63 33.749 12.160 −1.212 1.00 42.47 ATOM 113 OD1 ASP 63 32.689 11.539 −1.559 1.00 45.14 ATOM 114 OD2 ASP 63 34.699 11.672 −0.463 1.00 44.13 ATOM 115 C ASP 63 34.272 15.249 −3.337 1.00 31.61 ATOM 116 O ASP 63 35.487 15.294 −3.648 1.00 30.61 ATOM 117 N PHE 64 33.523 16.303 −3.001 1.00 28.89 ATOM 118 CA PHE 64 33.915 17.698 −3.121 1.00 28.44 ATOM 119 CB PHE 64 33.244 18.303 −4.359 1.00 27.72 ATOM 120 CG PHE 64 33.646 17.622 −5.640 1.00 28.55 ATOM 121 CD1 PHE 64 33.020 16.441 −6.040 1.00 29.74 ATOM 122 CE1 PHE 64 33.416 15.763 −7.209 1.00 27.82 ATOM 123 CZ PHE 64 34.461 16.270 −7.957 1.00 28.20 ATOM 124 CE2 PHE 64 35.108 17.463 −7.578 1.00 29.67 ATOM 125 CD2 PHE 64 34.698 18.137 −6.416 1.00 28.64 ATOM 126 C PHE 64 33.573 18.547 −1.875 1.00 28.20 ATOM 127 O PHE 64 32.483 18.436 −1.322 1.00 28.02 ATOM 128 N ALA 65 34.507 19.416 −1.459 1.00 28.57 ATOM 129 CA ALA 65 34.301 20.303 −0.287 1.00 27.38 ATOM 130 CB ALA 65 34.884 19.679 0.971 1.00 26.73 ATOM 131 C ALA 65 34.945 21.616 −0.485 1.00 27.14 ATOM 132 O ALA 65 35.886 21.729 −1.246 1.00 27.20 ATOM 133 N THR 66 34.437 22.626 0.210 1.00 27.88 ATOM 134 CA THR 66 35.279 23.770 0.582 1.00 29.11 ATOM 135 CB THR 66 34.478 25.070 0.597 1.00 28.62 ATOM 136 OG1 THR 66 33.918 25.269 −0.677 1.00 32.67 ATOM 137 CG2 THR 66 35.390 26.324 0.853 1.00 30.63 ATOM 138 C THR 66 35.842 23.477 1.998 1.00 29.04 ATOM 139 O THR 66 35.097 23.066 2.902 1.00 29.39 ATOM 140 N ILE 67 37.125 23.721 2.204 1.00 29.87 ATOM 141 CA ILE 67 37.708 23.582 3.534 1.00 29.83 ATOM 142 CB ILE 67 38.859 22.582 3.534 1.00 30.58 ATOM 143 CG1 ILE 67 38.416 21.220 2.963 1.00 28.17 ATOM 144 CD1 ILE 67 39.620 20.207 2.974 1.00 30.71 ATOM 145 CG2 ILE 67 39.441 22.400 4.944 1.00 32.44 ATOM 146 C ILE 67 38.197 24.937 3.995 1.00 29.75 ATOM 147 O ILE 67 38.834 25.691 3.218 1.00 30.09 ATOM 148 N TYR 68 37.831 25.286 5.230 1.00 29.10 ATOM 149 CA TYR 68 38.315 26.508 5.868 1.00 29.33 ATOM 150 CB TYR 68 37.151 27.346 6.397 1.00 29.75 ATOM 151 CG TYR 68 36.178 27.746 5.325 1.00 29.38 ATOM 152 CD1 TYR 68 35.006 27.033 5.135 1.00 32.55 ATOM 153 CE1 TYR 68 34.100 27.362 4.116 1.00 32.20 ATOM 154 CZ TYR 68 34.394 28.446 3.284 1.00 33.29 ATOM 155 OH TYR 68 33.494 28.795 2.288 1.00 32.89 ATOM 156 CE2 TYR 68 35.574 29.186 3.456 1.00 29.83 ATOM 157 CD2 TYR 68 36.451 28.838 4.468 1.00 31.54 ATOM 158 C TYR 68 39.308 26.119 6.981 1.00 29.45 ATOM 159 O TYR 68 39.026 25.278 7.847 1.00 29.05 ATOM 160 N GLU 79 53.399 27.035 4.479 1.00 37.59 ATOM 161 CA GLU 79 53.584 27.727 3.186 1.00 38.47 ATOM 162 CB GLU 79 54.979 27.347 2.636 1.00 39.42 ATOM 163 CG GLU 79 55.463 28.209 1.513 1.00 42.55 ATOM 164 CD GLU 79 54.736 27.874 0.199 1.00 45.29 ATOM 165 OE1 GLU 79 54.494 26.664 −0.012 1.00 48.69 ATOM 166 OE2 GLU 79 54.412 28.802 −0.596 1.00 40.76 ATOM 167 C GLU 79 52.447 27.239 2.269 1.00 38.04 ATOM 168 O GLU 79 52.125 26.034 2.264 1.00 37.98 ATOM 169 N SER 80 51.779 28.162 1.571 1.00 37.39 ATOM 170 CA SER 80 50.506 27.825 0.940 1.00 37.75 ATOM 171 CB SER 80 49.650 29.040 0.662 1.00 37.68 ATOM 172 OG SER 80 50.402 29.990 −0.039 1.00 40.99 ATOM 173 C SER 80 50.604 26.933 −0.300 1.00 38.14 ATOM 174 O SER 80 49.790 25.972 −0.464 1.00 38.41 ATOM 175 N LYS 81 51.601 27.186 −1.139 1.00 38.05 ATOM 176 CA LYS 81 51.952 26.167 −2.166 1.00 38.29 ATOM 177 CB LYS 81 53.203 26.541 −2.956 1.00 38.47 ATOM 178 CG LYS 81 53.269 25.762 −4.269 1.00 43.77 ATOM 179 CD LYS 81 54.076 26.500 −5.355 1.00 49.29 ATOM 180 CE LYS 81 55.546 26.090 −5.323 1.00 54.55 ATOM 181 NZ LYS 81 56.188 26.320 −6.669 1.00 57.78 ATOM 182 C LYS 81 52.028 24.721 −1.646 1.00 36.81 ATOM 183 O LYS 81 51.366 23.822 −2.213 1.00 37.85 ATOM 184 N SER 82 52.774 24.477 −0.570 1.00 35.20 ATOM 185 CA SER 82 52.858 23.113 0.023 1.00 33.64 ATOM 186 CB SER 82 53.818 23.128 1.230 1.00 34.75 ATOM 187 OG SER 82 53.235 23.751 2.368 1.00 33.65 ATOM 188 C SER 82 51.509 22.575 0.452 1.00 32.78 ATOM 189 O SER 82 51.231 21.370 0.403 1.00 33.37 ATOM 190 N LEU 83 50.652 23.495 0.887 1.00 32.92 ATOM 191 CA LEU 83 49.317 23.186 1.406 1.00 31.80 ATOM 192 CB LEU 83 48.714 24.415 2.145 1.00 32.13 ATOM 193 CG LEU 83 47.275 24.110 2.627 1.00 31.44 ATOM 194 CD1 LEU 83 47.272 22.824 3.530 1.00 27.03 ATOM 195 CD2 LEU 83 46.619 25.291 3.322 1.00 30.07 ATOM 196 C LEU 83 48.407 22.753 0.253 1.00 31.38 ATOM 197 O LEU 83 47.678 21.729 0.339 1.00 29.64 ATOM 198 N LYS 84 48.430 23.574 −0.790 1.00 32.24 ATOM 199 CA LYS 84 47.827 23.249 −2.121 1.00 34.04 ATOM 200 CB LYS 84 48.256 24.307 −3.159 1.00 33.44 ATOM 201 CG LYS 84 47.798 23.981 −4.580 1.00 35.85 ATOM 202 CD LYS 84 48.488 24.866 −5.630 1.00 35.52 ATOM 203 CE LYS 84 49.861 24.320 −5.999 1.00 38.91 ATOM 204 NZ LYS 84 50.532 25.118 −7.094 1.00 44.21 ATOM 205 C LYS 84 48.198 21.830 −2.582 1.00 33.50 ATOM 206 O LYS 84 47.315 20.984 −2.853 1.00 35.57 ATOM 207 N LEU 85 49.495 21.539 −2.592 1.00 33.06 ATOM 208 CA LEU 85 49.996 20.214 −2.998 1.00 33.43 ATOM 209 CB LEU 85 51.508 20.244 −3.063 1.00 32.74 ATOM 210 CG LEU 85 52.117 21.240 −4.058 1.00 36.78 ATOM 211 CD1 LEU 85 53.704 21.140 −4.039 1.00 37.48 ATOM 212 CD2 LEU 85 51.605 20.932 −5.456 1.00 38.46 ATOM 213 C LEU 85 49.530 19.170 −2.007 1.00 33.59 ATOM 214 O LEU 85 49.119 18.075 −2.358 1.00 33.78 ATOM 215 N TYR 86 49.575 19.526 −0.733 1.00 33.33 ATOM 216 CA TYR 86 49.111 18.578 0.265 1.00 32.84 ATOM 217 CB TYR 86 49.384 19.118 1.687 1.00 32.11 ATOM 218 CG TYR 86 48.715 18.313 2.775 1.00 31.82 ATOM 219 CD1 TYR 86 49.153 17.015 3.086 1.00 28.59 ATOM 220 CE1 TYR 86 48.534 16.278 4.088 1.00 32.86 ATOM 221 CZ TYR 86 47.451 16.843 4.793 1.00 31.37 ATOM 222 OH TYR 86 46.805 16.140 5.761 1.00 30.97 ATOM 223 CE2 TYR 86 47.010 18.122 4.508 1.00 31.22 ATOM 224 CD2 TYR 86 47.633 18.855 3.502 1.00 31.02 ATOM 225 C TYR 86 47.647 18.227 0.022 1.00 31.81 ATOM 226 O TYR 86 47.262 17.048 0.012 1.00 31.35 ATOM 227 N LEU 87 46.825 19.242 −0.194 1.00 31.78 ATOM 228 CA LEU 87 45.397 18.990 −0.488 1.00 31.82 ATOM 229 CB LEU 87 44.615 20.304 −0.402 1.00 32.18 ATOM 230 CG LEU 87 44.563 20.959 1.019 1.00 31.56 ATOM 231 CD1 LEU 87 43.635 22.132 1.000 1.00 32.47 ATOM 232 CD2 LEU 87 44.106 19.982 2.020 1.00 26.18 ATOM 233 C LEU 87 45.098 18.244 −1.807 1.00 32.75 ATOM 234 O LEU 87 44.137 17.476 −1.892 1.00 32.73 ATOM 235 N PHE 88 45.904 18.497 −2.841 1.00 34.10 ATOM 236 CA PHE 88 45.824 17.756 −4.105 1.00 35.05 ATOM 237 CB PHE 88 46.940 18.166 −5.095 1.00 35.48 ATOM 238 CG PHE 88 46.727 19.504 −5.775 1.00 36.14 ATOM 239 CD1 PHE 88 47.805 20.162 −6.373 1.00 38.84 ATOM 240 CE1 PHE 88 47.613 21.373 −7.044 1.00 38.29 ATOM 241 CZ PHE 88 46.340 21.957 −7.087 1.00 38.18 ATOM 242 CE2 PHE 88 45.256 21.316 −6.478 1.00 36.77 ATOM 243 CD2 PHE 88 45.460 20.097 −5.829 1.00 38.00 ATOM 244 C PHE 88 46.019 16.296 −3.832 1.00 35.83 ATOM 245 O PHE 88 45.435 15.456 −4.522 1.00 35.38 ATOM 246 N SER 89 46.884 15.982 −2.863 1.00 35.76 ATOM 247 CA SER 89 47.287 14.599 −2.627 1.00 34.90 ATOM 248 CB SER 89 48.447 14.561 −1.617 1.00 35.63 ATOM 249 OG SER 89 47.999 14.572 −0.257 1.00 35.63 ATOM 250 C SER 89 46.156 13.709 −2.170 1.00 35.05 ATOM 251 O SER 89 46.327 12.488 −2.031 1.00 35.82 ATOM 252 N PHE 90 44.996 14.292 −1.871 1.00 34.87 ATOM 253 CA PHE 90 43.826 13.474 −1.489 1.00 34.62 ATOM 254 CB PHE 90 42.889 14.214 −0.526 1.00 34.78 ATOM 255 CG PHE 90 43.417 14.335 0.864 1.00 36.36 ATOM 256 CD1 PHE 90 44.357 15.306 1.183 1.00 34.82 ATOM 257 CE1 PHE 90 44.862 15.414 2.469 1.00 37.21 ATOM 258 CZ PHE 90 44.425 14.559 3.455 1.00 36.41 ATOM 259 CE2 PHE 90 43.437 13.608 3.177 1.00 40.24 ATOM 260 CD2 PHE 90 42.948 13.488 1.870 1.00 39.21 ATOM 261 C PHE 90 43.015 13.119 −2.707 1.00 34.30 ATOM 262 O PHE 90 42.034 12.393 −2.578 1.00 33.27 ATOM 263 N ARG 91 43.394 13.653 −3.876 1.00 34.65 ATOM 264 CA ARG 91 42.519 13.588 −5.057 1.00 36.62 ATOM 265 CB ARG 91 43.149 14.284 −6.265 1.00 36.64 ATOM 266 CG ARG 91 42.338 14.272 −7.542 1.00 35.88 ATOM 267 CD ARG 91 43.115 15.082 −8.557 1.00 33.61 ATOM 268 NE ARG 91 42.400 15.312 −9.795 1.00 30.74 ATOM 269 CZ ARG 91 41.534 16.291 −10.004 1.00 34.38 ATOM 270 NH1 ARG 91 41.243 17.151 −9.016 1.00 32.01 ATOM 271 NH2 ARG 91 40.925 16.397 −11.204 1.00 29.74 ATOM 272 C ARG 91 42.139 12.166 −5.388 1.00 37.03 ATOM 273 O ARG 91 40.979 11.894 −5.679 1.00 37.70 ATOM 274 N GLY 121 35.180 21.526 7.163 1.00 27.57 ATOM 275 CA GLY 121 34.943 21.094 5.780 1.00 27.83 ATOM 276 C GLY 121 33.467 21.172 5.497 1.00 28.51 ATOM 277 O GLY 121 32.683 20.935 6.382 1.00 27.13 ATOM 278 N LYS 122 33.081 21.588 4.286 1.00 29.24 ATOM 279 CA LYS 122 31.683 21.661 3.939 1.00 28.64 ATOM 280 CB LYS 122 31.275 23.121 3.826 1.00 29.09 ATOM 281 CG LYS 122 31.317 23.843 5.214 1.00 29.14 ATOM 282 CD LYS 122 31.074 25.289 5.116 1.00 25.90 ATOM 283 CE LYS 122 31.095 25.903 6.495 1.00 30.47 ATOM 284 NZ LYS 122 30.577 27.300 6.414 1.00 33.80 ATOM 285 C LYS 122 31.519 20.888 2.618 1.00 29.89 ATOM 286 O LYS 122 31.863 21.398 1.554 1.00 29.56 ATOM 287 N PHE 123 31.024 19.644 2.716 1.00 29.77 ATOM 288 CA PHE 123 30.958 18.762 1.581 1.00 28.78 ATOM 289 CB PHE 123 31.172 17.306 1.978 1.00 27.79 ATOM 290 CG PHE 123 32.601 16.996 2.284 1.00 29.54 ATOM 291 CD1 PHE 123 33.162 17.352 3.529 1.00 26.50 ATOM 292 CE1 PHE 123 34.489 17.114 3.823 1.00 24.89 ATOM 293 CZ PHE 123 35.304 16.466 2.894 1.00 30.34 ATOM 294 CE2 PHE 123 34.755 16.062 1.632 1.00 31.05 ATOM 295 CD2 PHE 123 33.406 16.347 1.342 1.00 30.05 ATOM 296 C PHE 123 29.681 18.952 0.841 1.00 29.23 ATOM 297 O PHE 123 28.667 19.369 1.438 1.00 27.66 ATOM 298 N ASN 164 20.552 22.746 −0.945 1.00 35.87 ATOM 299 CA ASN 164 21.113 21.845 −1.951 1.00 37.23 ATOM 300 CB ASN 164 20.407 20.477 −1.955 1.00 36.18 ATOM 301 CG ASN 164 20.831 19.627 −0.771 1.00 38.54 ATOM 302 OD1 ASN 164 21.710 20.043 0.018 1.00 35.02 ATOM 303 ND2 ASN 164 20.212 18.444 −0.619 1.00 36.60 ATOM 304 C ASN 164 21.225 22.470 −3.341 1.00 37.19 ATOM 305 O ASN 164 21.469 21.790 −4.323 1.00 37.79 ATOM 306 O6 GDQ 201 51.673 34.977 1.685 1.00 47.86 ATOM 307 C6 GDQ 201 51.979 33.654 1.751 1.00 49.13 ATOM 308 N1 GDQ 201 51.693 32.967 2.883 1.00 48.48 ATOM 309 C5 GDQ 201 52.577 32.974 0.668 1.00 50.29 ATOM 310 C7 GDQ 201 53.031 33.252 −0.628 1.00 49.19 ATOM 311 C77 GDQ 201 52.946 34.470 −1.174 1.00 49.79 ATOM 312 N77 GDQ 201 52.924 35.622 −1.582 1.00 52.99 ATOM 313 C8 GDQ 201 53.562 32.149 −1.273 1.00 48.54 ATOM 314 N9 GDQ 201 53.432 31.139 −0.353 1.00 49.38 ATOM 315 C4 GDQ 201 52.867 31.624 0.805 1.00 49.87 ATOM 316 N3 GDQ 201 52.561 30.957 1.960 1.00 49.70 ATOM 317 C2 GDQ 201 51.970 31.654 2.984 1.00 48.62 ATOM 318 N2 GDQ 201 51.652 31.039 4.142 1.00 49.10 ATOM 319 N SER 54 50.888 43.757 −3.487 1.00 33.72 ATOM 320 CA SER 54 52.338 43.693 −3.244 1.00 35.85 ATOM 321 CB SER 54 52.589 43.666 −1.739 1.00 35.22 ATOM 322 OG SER 54 52.332 42.373 −1.259 1.00 33.77 ATOM 323 C SER 54 53.023 42.472 −3.895 1.00 37.39 ATOM 324 O SER 54 52.430 41.780 −4.706 1.00 37.18 ATOM 325 N LEU 55 54.256 42.181 −3.506 1.00 40.28 ATOM 326 CA LEU 55 55.021 41.110 −4.146 1.00 43.35 ATOM 327 CB LEU 55 56.340 41.680 −4.756 1.00 42.47 ATOM 328 CG LEU 55 56.261 42.856 −5.782 1.00 40.35 ATOM 329 CD1 LEU 55 57.622 43.240 −6.452 1.00 33.89 ATOM 330 CD2 LEU 55 55.236 42.575 −6.873 1.00 37.65 ATOM 331 C LEU 55 55.284 39.876 −3.255 1.00 46.35 ATOM 332 O LEU 55 55.737 40.014 −2.124 1.00 47.81 ATOM 333 N CYS 56 54.999 38.679 −3.767 1.00 49.44 ATOM 334 CA CYS 56 55.454 37.421 −3.170 1.00 51.70 ATOM 335 CB CYS 56 55.027 36.275 −4.075 1.00 52.04 ATOM 336 SG CYS 56 55.743 34.668 −3.714 1.00 52.43 ATOM 337 C CYS 56 56.987 37.429 −2.997 1.00 53.76 ATOM 338 O CYS 56 57.729 37.654 −3.965 1.00 54.33 ATOM 339 N PRO 57 57.491 37.195 −1.766 1.00 55.15 ATOM 340 CA PRO 57 58.911 37.584 −1.578 1.00 56.01 ATOM 341 CB PRO 57 59.114 37.519 −0.050 1.00 55.67 ATOM 342 CG PRO 57 58.121 36.516 0.418 1.00 55.68 ATOM 343 CD PRO 57 56.920 36.571 −0.558 1.00 55.25 ATOM 344 C PRO 57 59.898 36.661 −2.320 1.00 56.80 ATOM 345 O PRO 57 61.038 37.056 −2.582 1.00 56.61 ATOM 346 N LYS 58 59.443 35.460 −2.663 1.00 57.84 ATOM 347 CA LYS 58 60.294 34.489 −3.322 1.00 59.47 ATOM 348 CB LYS 58 59.876 33.057 −2.962 1.00 60.28 ATOM 349 CG LYS 58 60.679 32.447 −1.774 1.00 63.29 ATOM 350 CD LYS 58 60.422 33.179 −0.417 1.00 64.69 ATOM 351 CE LYS 58 61.315 32.659 0.729 1.00 64.11 ATOM 352 NZ LYS 58 61.511 31.184 0.637 1.00 64.02 ATOM 353 C LYS 58 60.327 34.690 −4.833 1.00 59.38 ATOM 354 O LYS 58 61.407 34.838 −5.440 1.00 59.15 ATOM 355 N VAL 59 59.146 34.729 −5.441 1.00 59.37 ATOM 356 CA VAL 59 59.086 34.728 −6.898 1.00 58.99 ATOM 357 CB VAL 59 58.028 33.768 −7.380 1.00 59.24 ATOM 358 CG1 VAL 59 56.666 34.258 −6.978 1.00 58.19 ATOM 359 CG2 VAL 59 58.162 33.558 −8.916 1.00 62.18 ATOM 360 C VAL 59 58.894 36.118 −7.505 1.00 57.82 ATOM 361 O VAL 59 59.246 36.347 −8.657 1.00 57.80 ATOM 362 N GLY 60 58.357 37.046 −6.724 1.00 56.74 ATOM 363 CA GLY 60 58.085 38.397 −7.216 1.00 55.41 ATOM 364 C GLY 60 56.784 38.485 −8.004 1.00 54.46 ATOM 365 O GLY 60 56.520 39.513 −8.623 1.00 54.71 ATOM 366 N GLN 61 56.014 37.388 −8.009 1.00 53.28 ATOM 367 CA GLN 61 54.624 37.331 −8.472 1.00 52.84 ATOM 368 CB GLN 61 54.082 35.885 −8.311 1.00 53.00 ATOM 369 CG GLN 61 53.172 35.640 −7.015 1.00 56.57 ATOM 370 CD GLN 61 53.162 34.186 −6.392 1.00 57.11 ATOM 371 OE1 GLN 61 52.154 33.764 −5.780 1.00 59.50 ATOM 372 NE2 GLN 61 54.290 33.450 −6.517 1.00 60.79 ATOM 373 C GLN 61 53.816 38.290 −7.589 1.00 49.52 ATOM 374 O GLN 61 53.966 38.252 −6.404 1.00 50.07 ATOM 375 N PRO 62 53.011 39.189 −8.166 1.00 47.30 ATOM 376 CA PRO 62 52.124 40.059 −7.396 1.00 44.65 ATOM 377 CB PRO 62 51.555 41.006 −8.450 1.00 44.86 ATOM 378 CG PRO 62 52.464 40.913 −9.619 1.00 46.60 ATOM 379 CD PRO 62 52.931 39.480 −9.613 1.00 47.39 ATOM 380 C PRO 62 50.957 39.363 −6.688 1.00 43.08 ATOM 381 O PRO 62 50.549 38.250 −7.044 1.00 42.60 ATOM 382 N ASP 63 50.437 40.028 −5.661 1.00 40.37 ATOM 383 CA ASP 63 49.334 39.489 −4.867 1.00 38.69 ATOM 384 CB ASP 63 49.820 38.925 −3.535 1.00 39.74 ATOM 385 CG ASP 63 50.818 37.741 −3.713 1.00 47.72 ATOM 386 OD1 ASP 63 50.600 36.879 −4.651 1.00 52.82 ATOM 387 OD2 ASP 63 51.815 37.688 −2.894 1.00 51.42 ATOM 388 C ASP 63 48.383 40.640 −4.645 1.00 34.25 ATOM 389 O ASP 63 48.783 41.764 −4.792 1.00 33.24 ATOM 390 N THR 124 43.423 37.518 −2.809 1.00 31.67 ATOM 391 CA THR 124 42.881 36.704 −3.933 1.00 31.12 ATOM 392 CB THR 124 42.958 37.455 −5.292 1.00 29.90 ATOM 393 OG1 THR 124 44.319 37.744 −5.576 1.00 29.06 ATOM 394 CG2 THR 124 42.221 38.772 −5.190 1.00 29.97 ATOM 395 C THR 124 43.599 35.360 −3.972 1.00 30.92 ATOM 396 O THR 124 44.747 35.264 −3.500 1.00 31.62 ATOM 397 N PRO 125 42.930 34.310 −4.507 1.00 31.66 ATOM 398 CA PRO 125 43.516 32.973 −4.441 1.00 32.62 ATOM 399 CB PRO 125 42.360 32.048 −4.866 1.00 32.91 ATOM 400 CG PRO 125 41.343 32.932 −5.495 1.00 31.43 ATOM 401 CD PRO 125 41.583 34.319 −5.121 1.00 30.86 ATOM 402 C PRO 125 44.755 32.774 −5.290 1.00 34.34 ATOM 403 O PRO 125 44.972 33.525 −6.239 1.00 34.29 ATOM 404 N ARG 126 45.601 31.811 −4.896 1.00 35.55 ATOM 405 CA ARG 126 46.768 31.401 −5.693 1.00 36.86 ATOM 406 CB ARG 126 48.070 31.986 −5.147 1.00 36.86 ATOM 407 CG ARG 126 48.244 33.471 −5.331 1.00 42.43 ATOM 408 CD ARG 126 48.292 33.896 −6.821 1.00 50.65 ATOM 409 NE ARG 126 48.454 35.350 −7.031 1.00 55.97 ATOM 410 CZ ARG 126 47.560 36.135 −7.648 1.00 58.82 ATOM 411 NH1 ARG 126 46.415 35.640 −8.097 1.00 59.04 ATOM 412 NH2 ARG 126 47.806 37.429 −7.812 1.00 60.14 ATOM 413 C ARG 126 46.816 29.907 −5.546 1.00 36.57 ATOM 414 O ARG 126 46.833 29.411 −4.418 1.00 37.65 ATOM 415 N GLY 127 46.779 29.163 −6.648 1.00 35.58 ATOM 416 CA GLY 127 46.669 27.713 −6.527 1.00 33.48 ATOM 417 C GLY 127 45.329 27.321 −5.928 1.00 33.81 ATOM 418 O GLY 127 45.205 26.254 −5.301 1.00 34.75 ATOM 419 N GLY 128 44.314 28.167 −6.127 1.00 31.98 ATOM 420 CA GLY 128 43.006 27.914 −5.591 1.00 31.99 ATOM 421 C GLY 128 42.796 28.133 −4.097 1.00 31.84 ATOM 422 O GLY 128 41.719 27.897 −3.607 1.00 33.17 ATOM 423 N ILE 129 43.814 28.573 −3.373 1.00 31.05 ATOM 424 CA ILE 129 43.699 28.809 −1.925 1.00 31.68 ATOM 425 CB ILE 129 44.815 28.051 −1.161 1.00 31.43 ATOM 426 CG1 ILE 129 44.613 26.552 −1.303 1.00 30.96 ATOM 427 CD1 ILE 129 45.683 25.705 −0.560 1.00 33.21 ATOM 428 CG2 ILE 129 44.854 28.434 0.315 1.00 31.24 ATOM 429 C ILE 129 43.895 30.292 −1.714 1.00 30.10 ATOM 430 O ILE 129 44.867 30.817 −2.202 1.00 31.71 ATOM 431 N SER 130 42.974 30.969 −1.042 1.00 29.38 ATOM 432 CA SER 130 43.245 32.330 −0.597 1.00 28.88 ATOM 433 CB SER 130 42.057 33.227 −0.949 1.00 28.32 ATOM 434 OG SER 130 40.886 32.666 −0.402 1.00 29.12 ATOM 435 C SER 130 43.637 32.425 0.931 1.00 29.46 ATOM 436 O SER 130 43.203 31.614 1.759 1.00 29.70 ATOM 437 N ILE 131 44.409 33.443 1.305 1.00 30.63 ATOM 438 CA ILE 131 44.845 33.615 2.710 1.00 31.23 ATOM 439 CB ILE 131 46.379 33.713 2.811 1.00 31.38 ATOM 440 CG1 ILE 131 47.024 32.594 1.984 1.00 33.26 ATOM 441 CD1 ILE 131 48.561 32.547 2.015 1.00 32.05 ATOM 442 CG2 ILE 131 46.847 33.588 4.274 1.00 30.53 ATOM 443 C ILE 131 44.251 34.895 3.270 1.00 30.83 ATOM 444 O ILE 131 44.311 35.897 2.627 1.00 30.60 ATOM 445 N GLU 160 33.027 33.216 5.921 1.00 32.84 ATOM 446 CA GLU 160 32.172 33.506 4.777 1.00 34.81 ATOM 447 CB GLU 160 32.443 34.906 4.193 1.00 34.98 ATOM 448 CG GLU 160 33.930 35.134 3.781 1.00 39.80 ATOM 449 CD GLU 160 34.171 36.469 3.109 1.00 39.43 ATOM 450 OE1 GLU 160 33.182 37.043 2.604 1.00 47.34 ATOM 451 OE2 GLU 160 35.341 36.943 3.082 1.00 44.14 ATOM 452 C GLU 160 32.405 32.470 3.693 1.00 33.17 ATOM 453 O GLU 160 33.494 31.936 3.580 1.00 32.43 ATOM 454 N ILE 162 33.471 31.119 0.430 1.00 34.66 ATOM 455 CA ILE 162 34.402 31.502 −0.630 1.00 36.04 ATOM 456 CB ILE 162 35.860 31.753 −0.066 1.00 36.58 ATOM 457 CG1 ILE 162 35.893 32.999 0.854 1.00 34.58 ATOM 458 CD1 ILE 162 35.444 34.350 0.200 1.00 37.08 ATOM 459 CG2 ILE 162 36.930 31.776 −1.209 1.00 35.30 ATOM 460 C ILE 162 34.380 30.440 −1.739 1.00 37.19 ATOM 461 O ILE 162 34.344 29.232 −1.455 1.00 36.42 ATOM 462 N ASP 163 34.374 30.882 −2.999 1.00 38.13 ATOM 463 CA ASP 163 34.262 29.911 −4.116 1.00 39.80 ATOM 464 CB ASP 163 32.770 29.714 −4.571 1.00 39.55 ATOM 465 CG ASP 163 32.173 30.945 −5.277 1.00 41.28 ATOM 466 OD1 ASP 163 31.081 30.861 −5.915 1.00 44.69 ATOM 467 OD2 ASP 163 32.775 32.031 −5.205 1.00 45.38 ATOM 468 C ASP 163 35.231 30.197 −5.271 1.00 40.41 ATOM 469 O ASP 163 35.280 29.459 −6.248 1.00 41.17 ATOM 470 N ASN 164 36.013 31.261 −5.120 1.00 41.25 ATOM 471 CA ASN 164 37.017 31.704 −6.092 1.00 41.82 ATOM 472 CB ASN 164 37.998 30.576 −6.460 1.00 41.11 ATOM 473 CG ASN 164 38.895 30.159 −5.279 1.00 41.91 ATOM 474 OD1 ASN 164 38.971 30.864 −4.271 1.00 41.77 ATOM 475 ND2 ASN 164 39.570 29.018 −5.401 1.00 39.10 ATOM 476 C ASN 164 36.391 32.410 −7.317 1.00 43.13 ATOM 477 O ASN 164 37.048 32.663 −8.311 1.00 45.15 ATOM 478 N ARG 165 35.128 32.779 −7.215 1.00 43.18 ATOM 479 CA ARG 165 34.463 33.520 −8.263 1.00 43.16 ATOM 480 CB ARG 165 33.234 32.732 −8.738 1.00 42.42 ATOM 481 CG ARG 165 33.537 31.295 −9.223 1.00 42.82 ATOM 482 CD ARG 165 34.079 31.318 −10.686 1.00 42.73 ATOM 483 NE ARG 165 33.196 32.070 −11.604 1.00 38.23 ATOM 484 CZ ARG 165 33.421 32.177 −12.912 1.00 37.84 ATOM 485 NH1 ARG 165 34.511 31.600 −13.439 1.00 31.52 ATOM 486 NH2 ARG 165 32.561 32.852 −13.690 1.00 36.57 ATOM 487 C ARG 165 34.055 34.894 −7.700 1.00 43.75 ATOM 488 O ARG 165 34.540 35.956 −8.077 1.00 44.03 ATOM 489 OXT ARG 165 33.202 35.020 −6.813 1.00 44.96 ATOM 490 O HOH 28 41.231 24.792 −2.764 1.00 32.19 ATOM 491 O HOH 47 45.813 34.092 −1.209 1.00 24.90 ATOM 492 O HOH 81 42.003 17.079 −3.720 1.00 28.53 ATOM 493 O HOH 82 48.944 28.551 −3.166 1.00 38.48 ATOM 494 O HOH 91 42.370 17.841 −6.487 1.00 37.54 ATOM 495 O HOH 92 51.389 40.287 −1.822 1.00 67.71 ATOM 496 O HOH 118 43.882 30.461 −7.597 1.00 41.43 ATOM 497 O HOH 121 35.459 21.288 −4.581 1.00 33.91 ATOM 498 O HOH 136 47.189 37.120 −4.185 1.00 47.88 ATOM 499 O HOH 233 42.369 20.436 −5.394 1.00 44.46 ATOM 500 O HOH 243 43.638 24.320 −4.167 1.00 32.22 ATOM 501 O HOH 247 44.611 22.361 −3.380 1.00 38.90 ATOM 502 N ASN 21 60.463 34.633 −13.976 1.00 77.48 ATOM 503 CA ASN 21 60.433 35.996 −13.328 1.00 77.76 ATOM 504 CB ASN 21 61.816 36.356 −12.753 1.00 78.33 ATOM 505 CG ASN 21 62.233 35.419 −11.609 1.00 79.60 ATOM 506 OD1 ASN 21 61.512 35.274 −10.612 1.00 79.76 ATOM 507 ND2 ASN 21 63.399 34.774 −11.755 1.00 80.00 ATOM 508 C ASN 21 59.827 37.125 −14.206 1.00 77.04 ATOM 509 O ASN 21 59.633 36.933 −15.423 1.00 77.25 ATOM 510 N TYR 22 59.574 38.293 −13.584 1.00 75.75 ATOM 511 CA TYR 22 58.471 39.214 −13.971 1.00 74.20 ATOM 512 CB TYR 22 57.483 39.339 −12.795 1.00 74.59 ATOM 513 CG TYR 22 56.716 38.060 −12.447 1.00 75.55 ATOM 514 CD1 TYR 22 57.299 37.045 −11.663 1.00 75.86 ATOM 515 CE1 TYR 22 56.581 35.865 −11.338 1.00 75.88 ATOM 516 CZ TYR 22 55.270 35.700 −11.788 1.00 75.44 ATOM 517 OH TYR 22 54.556 34.546 −11.467 1.00 74.92 ATOM 518 CE2 TYR 22 54.668 36.700 −12.553 1.00 75.09 ATOM 519 CD2 TYR 22 55.393 37.871 −12.880 1.00 76.17 ATOM 520 C TYR 22 58.815 40.628 −14.516 1.00 72.82 ATOM 521 O TYR 22 59.484 41.436 −13.850 1.00 72.91 ATOM 522 N LEU 23 58.320 40.910 −15.725 1.00 70.41 ATOM 523 CA LEU 23 58.477 42.207 −16.384 1.00 68.04 ATOM 524 CB LEU 23 58.509 42.044 −17.920 1.00 68.48 ATOM 525 CG LEU 23 59.589 41.212 −18.636 1.00 69.66 ATOM 526 CD1 LEU 23 58.989 40.295 −19.722 1.00 68.67 ATOM 527 CD2 LEU 23 60.736 42.099 −19.199 1.00 70.93 ATOM 528 C LEU 23 57.269 43.051 −16.012 1.00 65.77 ATOM 529 O LEU 23 56.143 42.650 −16.275 1.00 65.09 ATOM 530 N PHE 24 57.490 44.214 −15.404 1.00 63.20 ATOM 531 CA PHE 24 56.376 45.108 −15.078 1.00 60.69 ATOM 532 CB PHE 24 56.399 45.505 −13.586 1.00 60.55 ATOM 533 CG PHE 24 56.242 44.326 −12.623 1.00 60.16 ATOM 534 CD1 PHE 24 57.092 44.193 −11.513 1.00 59.27 ATOM 535 CE1 PHE 24 56.958 43.105 −10.621 1.00 59.30 ATOM 536 CZ PHE 24 55.954 42.118 −10.846 1.00 59.37 ATOM 537 CE2 PHE 24 55.106 42.231 −11.956 1.00 58.47 ATOM 538 CD2 PHE 24 55.247 43.343 −12.832 1.00 59.75 ATOM 539 C PHE 24 56.337 46.321 −16.013 1.00 59.28 ATOM 540 O PHE 24 55.621 47.291 −15.775 1.00 57.98 ATOM 541 N LYS 46 35.504 33.716 −22.547 1.00 27.94 ATOM 542 CA LYS 46 35.594 34.813 −21.609 1.00 28.72 ATOM 543 CB LYS 46 34.280 35.047 −20.885 1.00 28.72 ATOM 544 CG LYS 46 34.103 36.549 −20.715 1.00 31.74 ATOM 545 CD LYS 46 33.725 37.082 −19.357 1.00 29.01 ATOM 546 CE LYS 46 32.261 36.921 −19.061 1.00 34.07 ATOM 547 NZ LYS 46 32.028 35.526 −18.553 1.00 35.61 ATOM 548 C LYS 46 36.742 34.689 −20.587 1.00 29.00 ATOM 549 O LYS 46 36.927 33.630 −19.959 1.00 27.85 ATOM 550 N GLU 79 46.675 31.937 −24.957 1.00 31.85 ATOM 551 CA GLU 79 47.010 31.100 −23.819 1.00 32.97 ATOM 552 CB GLU 79 48.402 30.489 −24.060 1.00 33.09 ATOM 553 CG GLU 79 48.782 29.305 −23.179 1.00 36.28 ATOM 554 CD GLU 79 49.298 29.747 −21.783 1.00 42.29 ATOM 555 OE1 GLU 79 50.240 30.593 −21.719 1.00 43.14 ATOM 556 OE2 GLU 79 48.757 29.243 −20.750 1.00 42.65 ATOM 557 C GLU 79 46.973 31.998 −22.538 1.00 33.16 ATOM 558 O GLU 79 47.579 33.059 −22.486 1.00 33.58 ATOM 559 N SER 80 46.177 31.565 −21.561 1.00 33.78 ATOM 560 CA SER 80 45.918 32.180 −20.255 1.00 34.02 ATOM 561 CB SER 80 45.227 31.117 −19.379 1.00 35.89 ATOM 562 OG SER 80 44.418 31.682 −18.363 1.00 38.47 ATOM 563 C SER 80 47.125 32.721 −19.504 1.00 34.03 ATOM 564 O SER 80 47.119 33.887 −19.073 1.00 34.32 ATOM 565 N LYS 81 48.154 31.896 −19.324 1.00 33.56 ATOM 566 CA LYS 81 49.361 32.331 −18.637 1.00 34.79 ATOM 567 CB LYS 81 50.374 31.192 −18.505 1.00 35.88 ATOM 568 CG LYS 81 51.528 31.525 −17.518 1.00 39.71 ATOM 569 CD LYS 81 52.511 30.369 −17.374 1.00 38.34 ATOM 570 CE LYS 81 53.965 30.924 −17.461 1.00 47.73 ATOM 571 NZ LYS 81 55.069 29.852 −17.650 1.00 47.03 ATOM 572 C LYS 81 50.050 33.498 −19.327 1.00 34.02 ATOM 573 O LYS 81 50.539 34.410 −18.624 1.00 33.61 ATOM 574 N SER 82 50.129 33.472 −20.682 1.00 31.13 ATOM 575 CA SER 82 50.722 34.601 −21.382 1.00 29.46 ATOM 576 CB SER 82 50.940 34.274 −22.897 1.00 30.51 ATOM 577 OG SER 82 49.733 34.250 −23.658 1.00 25.05 ATOM 578 C SER 82 49.898 35.862 −21.176 1.00 28.45 ATOM 579 O SER 82 50.429 36.964 −21.122 1.00 28.02 ATOM 580 N LEU 83 48.585 35.704 −21.062 1.00 28.58 ATOM 581 CA LEU 83 47.709 36.847 −20.889 1.00 28.75 ATOM 582 CB LEU 83 46.246 36.400 −21.072 1.00 28.91 ATOM 583 CG LEU 83 45.223 37.495 −20.745 1.00 28.13 ATOM 584 CD1 LEU 83 45.474 38.773 −21.618 1.00 22.93 ATOM 585 CD2 LEU 83 43.846 37.002 −20.907 1.00 25.01 ATOM 586 C LEU 83 47.920 37.505 −19.487 1.00 29.90 ATOM 587 O LEU 83 47.920 38.759 −19.345 1.00 29.32 ATOM 588 N LYS 84 48.137 36.648 −18.475 1.00 30.73 ATOM 589 CA LYS 84 48.466 37.059 −17.096 1.00 31.05 ATOM 590 CB LYS 84 48.661 35.827 −16.208 1.00 31.72 ATOM 591 CG LYS 84 49.170 36.133 −14.774 1.00 33.82 ATOM 592 CD LYS 84 49.508 34.855 −14.010 1.00 33.38 ATOM 593 CE LYS 84 50.932 34.459 −14.264 1.00 37.80 ATOM 594 NZ LYS 84 51.170 33.043 −13.784 1.00 41.84 ATOM 595 C LYS 84 49.754 37.830 −17.149 1.00 30.38 ATOM 596 O LYS 84 49.800 38.960 −16.737 1.00 29.79 ATOM 597 N LEU 85 50.800 37.242 −17.728 1.00 31.88 ATOM 598 CA LEU 85 52.066 37.979 −17.861 1.00 31.86 ATOM 599 CB LEU 85 53.132 37.105 −18.486 1.00 32.09 ATOM 600 CG LEU 85 53.399 35.885 −17.611 1.00 34.28 ATOM 601 CD1 LEU 85 54.156 34.804 −18.390 1.00 32.52 ATOM 602 CD2 LEU 85 54.091 36.264 −16.233 1.00 31.60 ATOM 603 C LEU 85 51.921 39.288 −18.630 1.00 32.05 ATOM 604 O LEU 85 52.518 40.293 −18.254 1.00 33.60 ATOM 605 N TYR 86 51.135 39.288 −19.714 1.00 31.49 ATOM 606 CA TYR 86 50.995 40.498 −20.538 1.00 30.33 ATOM 607 CB TYR 86 50.178 40.215 −21.833 1.00 29.59 ATOM 608 CG TYR 86 49.630 41.414 −22.567 1.00 26.68 ATOM 609 CD1 TYR 86 50.455 42.200 −23.345 1.00 24.51 ATOM 610 CE1 TYR 86 49.966 43.249 −24.057 1.00 24.37 ATOM 611 CZ TYR 86 48.626 43.568 −23.990 1.00 25.64 ATOM 612 OH TYR 86 48.221 44.675 −24.649 1.00 26.85 ATOM 613 CE2 TYR 86 47.741 42.827 −23.235 1.00 22.71 ATOM 614 CD2 TYR 86 48.265 41.716 −22.540 1.00 27.57 ATOM 615 C TYR 86 50.355 41.555 −19.723 1.00 30.64 ATOM 616 O TYR 86 50.771 42.678 −19.764 1.00 32.24 ATOM 617 N LEU 87 49.315 41.205 −18.982 1.00 31.89 ATOM 618 CA LEU 87 48.617 42.195 −18.183 1.00 31.70 ATOM 619 CB LEU 87 47.269 41.676 −17.749 1.00 30.92 ATOM 620 CG LEU 87 46.183 41.524 −18.815 1.00 30.71 ATOM 621 CD1 LEU 87 44.992 40.947 −18.153 1.00 30.43 ATOM 622 CD2 LEU 87 45.796 42.808 −19.511 1.00 27.38 ATOM 623 C LEU 87 49.466 42.645 −16.966 1.00 32.75 ATOM 624 O LEU 87 49.368 43.792 −16.543 1.00 33.05 ATOM 625 N PHE 88 50.284 41.747 −16.430 1.00 32.40 ATOM 626 CA PHE 88 51.249 42.102 −15.362 1.00 33.61 ATOM 627 CB PHE 88 51.993 40.843 −14.850 1.00 33.43 ATOM 628 CG PHE 88 51.179 40.001 −13.811 1.00 34.54 ATOM 629 CD1 PHE 88 51.648 38.757 −13.369 1.00 34.73 ATOM 630 CE1 PHE 88 50.927 37.996 −12.402 1.00 35.58 ATOM 631 CZ PHE 88 49.675 38.509 −11.868 1.00 38.71 ATOM 632 CE2 PHE 88 49.200 39.741 −12.294 1.00 36.46 ATOM 633 CD2 PHE 88 49.963 40.478 −13.266 1.00 37.35 ATOM 634 C PHE 88 52.246 43.183 −15.842 1.00 33.85 ATOM 635 O PHE 88 52.735 44.015 −15.050 1.00 33.57 ATOM 636 N SER 89 52.504 43.209 −17.156 1.00 33.74 ATOM 637 CA SER 89 53.520 44.111 −17.712 1.00 32.69 ATOM 638 CB SER 89 54.008 43.635 −19.115 1.00 33.24 ATOM 639 OG SER 89 53.123 43.961 −20.202 1.00 29.93 ATOM 640 C SER 89 52.978 45.523 −17.735 1.00 33.19 ATOM 641 O SER 89 53.710 46.469 −18.064 1.00 33.38 ATOM 642 O3S G6S 202 52.852 28.533 −7.410 1.00 0.80 ATOM 643 S G6S 202 51.367 28.536 −7.238 1.00 0.32 ATOM 644 O1S G6S 202 50.895 29.937 −7.089 1.00 0.47 ATOM 645 O2S G6S 202 50.976 27.803 −6.003 1.00 0.44 ATOM 646 O6 G6S 202 50.649 27.825 −8.553 1.00 0.52 ATOM 647 C6 G6S 202 51.248 27.655 −9.853 1.00 0.05 ATOM 648 C5 G6S 202 50.442 28.334 −10.989 1.00 0.81 ATOM 649 O5 G6S 202 51.011 29.617 −11.325 1.00 0.85 ATOM 650 C4 G6S 202 48.890 28.417 −10.843 1.00 0.89 ATOM 651 O4 G6S 202 48.325 27.461 −9.929 1.00 99.16 ATOM 652 C3 G6S 202 48.290 29.798 −10.517 1.00 99.15 ATOM 653 O3 G6S 202 47.360 29.685 −9.429 1.00 96.07 ATOM 654 C2 G6S 202 49.259 30.993 −10.332 1.00 99.78 ATOM 655 O2 G6S 202 48.929 31.763 −9.163 1.00 97.61 ATOM 656 C1 G6S 202 50.752 30.641 −10.356 1.00 0.22 ATOM 657 O1 G6S 202 51.512 31.810 −10.680 1.00 0.17 ATOM 658 N PRO 50 28.244 21.414 −10.817 1.00 28.99 ATOM 659 CA PRO 50 29.215 22.198 −10.031 1.00 29.58 ATOM 660 CB PRO 50 28.423 22.598 −8.756 1.00 29.17 ATOM 661 CG PRO 50 27.143 21.920 −8.860 1.00 29.81 ATOM 662 CD PRO 50 27.095 20.985 −9.993 1.00 28.43 ATOM 663 C PRO 50 30.454 21.446 −9.626 1.00 29.99 ATOM 664 O PRO 50 31.373 22.050 −9.096 1.00 31.25 ATOM 665 N GLU 51 30.490 20.159 −9.888 1.00 30.28 ATOM 666 CA GLU 51 31.565 19.318 −9.431 1.00 31.01 ATOM 667 CB GLU 51 30.978 18.110 −8.744 1.00 31.20 ATOM 668 CG GLU 51 30.228 18.489 −7.474 1.00 31.72 ATOM 669 CD GLU 51 29.527 17.305 −6.826 1.00 39.70 ATOM 670 OE1 GLU 51 29.698 16.149 −7.339 1.00 41.03 ATOM 671 OE2 GLU 51 28.792 17.537 −5.815 1.00 39.79 ATOM 672 C GLU 51 32.556 18.911 −10.496 1.00 30.89 ATOM 673 O GLU 51 33.223 17.903 −10.383 1.00 32.20 ATOM 674 N PHE 52 32.694 19.712 −11.534 1.00 30.63 ATOM 675 CA PHE 52 33.541 19.278 −12.624 1.00 29.27 ATOM 676 CB PHE 52 33.080 19.913 −13.946 1.00 29.89 ATOM 677 CG PHE 52 33.995 19.591 −15.114 1.00 28.40 ATOM 678 CD1 PHE 52 33.771 18.470 −15.907 1.00 28.58 ATOM 679 CE1 PHE 52 34.613 18.160 −16.983 1.00 24.69 ATOM 680 CZ PHE 52 35.662 18.968 −17.259 1.00 27.97 ATOM 681 CE2 PHE 52 35.921 20.096 −16.447 1.00 29.23 ATOM 682 CD2 PHE 52 35.079 20.397 −15.399 1.00 26.27 ATOM 683 C PHE 52 34.989 19.634 −12.337 1.00 29.10 ATOM 684 O PHE 52 35.276 20.740 −11.880 1.00 28.69 ATOM 685 N THR 53 35.879 18.664 −12.600 1.00 29.45 ATOM 686 CA THR 53 37.326 18.832 −12.507 1.00 29.09 ATOM 687 CB THR 53 37.843 18.455 −11.101 1.00 28.45 ATOM 688 OG1 THR 53 39.268 18.659 −11.054 1.00 27.24 ATOM 689 CG2 THR 53 37.484 17.025 −10.776 1.00 25.51 ATOM 690 C THR 53 38.062 18.013 −13.596 1.00 30.39 ATOM 691 O THR 53 37.605 16.954 −13.998 1.00 29.67 ATOM 692 N SER 54 39.223 18.520 −14.021 1.00 31.83 ATOM 693 CA SER 54 40.050 17.925 −15.068 1.00 33.32 ATOM 694 CB SER 54 39.542 18.318 −16.473 1.00 33.47 ATOM 695 OG SER 54 39.682 19.717 −16.684 1.00 33.23 ATOM 696 C SER 54 41.483 18.427 −14.883 1.00 34.99 ATOM 697 O SER 54 41.781 19.080 −13.905 1.00 34.15 ATOM 698 N LEU 55 42.367 18.138 −15.835 1.00 38.17 ATOM 699 CA LEU 55 43.784 18.454 −15.681 1.00 40.67 ATOM 700 CB LEU 55 44.633 17.189 −15.708 1.00 40.34 ATOM 701 CG LEU 55 44.337 16.106 −14.673 1.00 37.91 ATOM 702 CD1 LEU 55 45.350 15.007 −14.872 1.00 37.30 ATOM 703 CD2 LEU 55 44.404 16.622 −13.251 1.00 39.20 ATOM 704 C LEU 55 44.243 19.439 −16.711 1.00 43.65 ATOM 705 O LEU 55 43.677 19.503 −17.811 1.00 44.27 ATOM 706 N CYS 56 45.206 20.263 −16.305 1.00 46.46 ATOM 707 CA CYS 56 45.912 21.152 −17.201 1.00 48.90 ATOM 708 CB CYS 56 46.701 22.184 −16.389 1.00 49.06 ATOM 709 SG CYS 56 47.593 23.405 −17.367 1.00 50.31 ATOM 710 C CYS 56 46.845 20.305 −18.099 1.00 50.34 ATOM 711 O CYS 56 47.635 19.482 −17.589 1.00 50.82 ATOM 712 N PRO 57 46.735 20.467 −19.434 1.00 51.54 ATOM 713 CA PRO 57 47.388 19.490 −20.323 1.00 52.63 ATOM 714 CB PRO 57 46.866 19.882 −21.711 1.00 52.63 ATOM 715 CG PRO 57 46.498 21.362 −21.578 1.00 51.98 ATOM 716 CD PRO 57 46.005 21.517 −20.180 1.00 50.82 ATOM 717 C PRO 57 48.922 19.553 −20.285 1.00 53.90 ATOM 718 O PRO 57 49.595 18.557 −20.604 1.00 54.88 ATOM 719 N LYS 58 49.445 20.704 −19.869 1.00 54.79 ATOM 720 CA LYS 58 50.859 21.010 −19.879 1.00 55.67 ATOM 721 CB LYS 58 51.099 22.460 −20.350 1.00 56.91 ATOM 722 CG LYS 58 51.388 22.586 −21.860 1.00 59.21 ATOM 723 CD LYS 58 50.130 22.869 −22.727 1.00 62.63 ATOM 724 CE LYS 58 50.254 22.345 −24.208 1.00 62.29 ATOM 725 NZ LYS 58 49.792 20.898 −24.410 1.00 63.69 ATOM 726 C LYS 58 51.521 20.767 −18.530 1.00 55.58 ATOM 727 O LYS 58 52.581 20.135 −18.485 1.00 56.09 ATOM 728 N VAL 59 50.917 21.267 −17.444 1.00 54.74 ATOM 729 CA VAL 59 51.421 21.046 −16.067 1.00 52.88 ATOM 730 CB VAL 59 51.163 22.260 −15.166 1.00 52.91 ATOM 731 CG1 VAL 59 51.991 23.465 −15.607 1.00 53.31 ATOM 732 CG2 VAL 59 49.711 22.627 −15.158 1.00 52.44 ATOM 733 C VAL 59 50.856 19.794 −15.354 1.00 52.24 ATOM 734 O VAL 59 51.473 19.284 −14.420 1.00 52.31 ATOM 735 N GLY 60 49.686 19.305 −15.764 1.00 50.54 ATOM 736 CA GLY 60 49.014 18.245 −14.989 1.00 48.58 ATOM 737 C GLY 60 48.341 18.733 −13.691 1.00 47.45 ATOM 738 O GLY 60 47.866 17.896 −12.884 1.00 46.89 ATOM 739 N GLN 61 48.307 20.064 −13.479 1.00 45.26 ATOM 740 CA GLN 61 47.586 20.678 −12.333 1.00 44.42 ATOM 741 CB GLN 61 47.987 22.155 −12.119 1.00 43.87 ATOM 742 CG GLN 61 47.731 22.676 −10.667 1.00 49.56 ATOM 743 CD GLN 61 47.363 24.226 −10.534 1.00 49.55 ATOM 744 OE1 GLN 61 47.220 24.948 −11.541 1.00 58.03 ATOM 745 NE2 GLN 61 47.252 24.715 −9.280 1.00 50.79 ATOM 746 C GLN 61 46.057 20.541 −12.530 1.00 40.55 ATOM 747 O GLN 61 45.530 20.745 −13.639 1.00 39.97 ATOM 748 N PRO 62 45.346 20.114 −11.472 1.00 37.57 ATOM 749 CA PRO 62 43.876 20.094 −11.506 1.00 34.50 ATOM 750 CB PRO 62 43.486 19.465 −10.176 1.00 34.78 ATOM 751 CG PRO 62 44.738 19.481 −9.340 1.00 35.70 ATOM 752 CD PRO 62 45.901 19.527 −10.245 1.00 36.57 ATOM 753 C PRO 62 43.205 21.468 −11.694 1.00 32.05 ATOM 754 O PRO 62 43.721 22.464 −11.281 1.00 29.71 ATOM 755 N ASP 63 42.053 21.454 −12.362 1.00 31.14 ATOM 756 CA ASP 63 41.239 22.599 −12.684 1.00 30.90 ATOM 757 CB ASP 63 41.325 22.867 −14.206 1.00 32.30 ATOM 758 CG ASP 63 42.634 23.566 −14.606 1.00 41.48 ATOM 759 OD1 ASP 63 43.305 24.240 −13.756 1.00 48.28 ATOM 760 OD2 ASP 63 43.022 23.456 −15.797 1.00 51.27 ATOM 761 C ASP 63 39.814 22.220 −12.251 1.00 28.42 ATOM 762 O ASP 63 39.500 21.024 −12.182 1.00 27.04 ATOM 763 N PHE 64 38.950 23.220 −12.000 1.00 26.58 ATOM 764 CA PHE 64 37.571 22.964 −11.489 1.00 25.17 ATOM 765 CB PHE 64 37.545 23.196 −9.947 1.00 24.80 ATOM 766 CG PHE 64 38.517 22.339 −9.234 1.00 23.25 ATOM 767 CD1 PHE 64 39.858 22.638 −9.291 1.00 18.99 ATOM 768 CE1 PHE 64 40.775 21.788 −8.711 1.00 25.96 ATOM 769 CZ PHE 64 40.353 20.660 −8.050 1.00 22.65 ATOM 770 CE2 PHE 64 39.013 20.349 −8.038 1.00 25.11 ATOM 771 CD2 PHE 64 38.104 21.180 −8.619 1.00 17.63 ATOM 772 C PHE 64 36.595 23.944 −12.156 1.00 24.81 ATOM 773 O PHE 64 36.962 25.054 −12.424 1.00 24.53 ATOM 774 N ALA 65 35.352 23.554 −12.363 1.00 25.05 ATOM 775 CA ALA 65 34.418 24.431 −13.033 1.00 25.65 ATOM 776 CB ALA 65 34.439 24.094 −14.597 1.00 25.77 ATOM 777 C ALA 65 33.042 24.147 −12.554 1.00 24.74 ATOM 778 O ALA 65 32.740 23.054 −12.154 1.00 23.37 ATOM 779 N PHE 123 35.115 28.338 −14.979 1.00 24.66 ATOM 780 CA PHE 123 36.231 27.708 −14.313 1.00 25.71 ATOM 781 CB PHE 123 37.352 27.432 −15.308 1.00 25.39 ATOM 782 CG PHE 123 37.146 26.154 −16.080 1.00 25.58 ATOM 783 CD1 PHE 123 36.303 26.130 −17.208 1.00 23.88 ATOM 784 CE1 PHE 123 36.066 24.956 −17.902 1.00 27.12 ATOM 785 CZ PHE 123 36.700 23.778 −17.476 1.00 25.61 ATOM 786 CE2 PHE 123 37.573 23.813 −16.368 1.00 25.86 ATOM 787 CD2 PHE 123 37.772 24.999 −15.676 1.00 21.27 ATOM 788 C PHE 123 36.733 28.584 −13.202 1.00 27.78 ATOM 789 O PHE 123 36.435 29.784 −13.207 1.00 26.73 ATOM 790 N THR 124 37.479 27.990 −12.258 1.00 28.45 ATOM 791 CA THR 124 38.052 28.780 −11.172 1.00 29.21 ATOM 792 CB THR 124 38.335 27.932 −9.928 1.00 29.38 ATOM 793 OG1 THR 124 39.204 26.840 −10.266 1.00 29.10 ATOM 794 CG2 THR 124 37.043 27.398 −9.299 1.00 28.56 ATOM 795 C THR 124 39.359 29.380 −11.630 1.00 30.74 ATOM 796 O THR 124 39.979 28.843 −12.573 1.00 30.61 ATOM 797 N PRO 125 39.805 30.487 −10.978 1.00 31.11 ATOM 798 CA PRO 125 40.960 31.157 −11.553 1.00 31.41 ATOM 799 CB PRO 125 40.960 32.517 −10.858 1.00 31.81 ATOM 800 CG PRO 125 40.314 32.253 −9.532 1.00 31.39 ATOM 801 CD PRO 125 39.270 31.217 −9.812 1.00 30.80 ATOM 802 C PRO 125 42.286 30.468 −11.375 1.00 31.85 ATOM 803 O PRO 125 42.425 29.609 −10.527 1.00 31.82 ATOM 804 N ARG 126 43.253 30.872 −12.196 1.00 33.65 ATOM 805 CA ARG 126 44.643 30.386 −12.170 1.00 35.35 ATOM 806 CB ARG 126 44.867 29.366 −13.279 1.00 35.69 ATOM 807 CG ARG 126 43.946 28.160 −13.183 1.00 43.61 ATOM 808 CD ARG 126 44.705 26.987 −12.545 1.00 50.39 ATOM 809 NE ARG 126 43.886 26.236 −11.591 1.00 55.49 ATOM 810 CZ ARG 126 43.819 26.497 −10.287 1.00 55.94 ATOM 811 NH1 ARG 126 44.523 27.495 −9.775 1.00 56.17 ATOM 812 NH2 ARG 126 43.055 25.754 −9.503 1.00 53.93 ATOM 813 C ARG 126 45.463 31.566 −12.570 1.00 33.98 ATOM 814 O ARG 126 45.262 32.070 −13.654 1.00 34.55 ATOM 815 N GLY 127 46.412 31.985 −11.749 1.00 33.08 ATOM 816 CA GLY 127 47.164 33.232 −11.992 1.00 31.37 ATOM 817 C GLY 127 46.246 34.445 −12.024 1.00 31.90 ATOM 818 O GLY 127 46.531 35.450 −12.738 1.00 32.33 ATOM 819 N GLY 128 45.151 34.356 −11.257 1.00 29.85 ATOM 820 CA GLY 128 44.190 35.435 −11.148 1.00 29.52 ATOM 821 C GLY 128 43.144 35.555 −12.249 1.00 29.89 ATOM 822 O GLY 128 42.293 36.426 −12.170 1.00 31.57 ATOM 823 N ILE 129 43.223 34.718 −13.281 1.00 28.05 ATOM 824 CA ILE 129 42.332 34.811 −14.472 1.00 28.03 ATOM 825 CB ILE 129 43.203 34.838 −15.798 1.00 27.24 ATOM 826 CG1 ILE 129 44.113 36.071 −15.781 1.00 25.80 ATOM 827 CD1 ILE 129 44.676 36.415 −17.145 1.00 30.11 ATOM 828 CG2 ILE 129 42.314 34.715 −17.101 1.00 26.81 ATOM 829 C ILE 129 41.431 33.585 −14.533 1.00 26.21 ATOM 830 O ILE 129 41.934 32.482 −14.440 1.00 27.19 ATOM 831 N SER 130 40.136 33.755 −14.694 1.00 24.89 ATOM 832 CA SER 130 39.305 32.591 −14.900 1.00 27.04 ATOM 833 CB SER 130 38.185 32.561 −13.881 1.00 26.36 ATOM 834 OG SER 130 37.616 33.836 −13.893 1.00 29.36 ATOM 835 C SER 130 38.767 32.626 −16.345 1.00 27.61 ATOM 836 O SER 130 38.691 33.690 −16.975 1.00 28.20 ATOM 837 N ILE 131 38.460 31.457 −16.876 1.00 29.41 ATOM 838 CA ILE 131 38.052 31.297 −18.298 1.00 28.69 ATOM 839 CB ILE 131 39.036 30.360 −19.019 1.00 29.39 ATOM 840 CG1 ILE 131 40.461 30.861 −18.796 1.00 26.63 ATOM 841 CD1 ILE 131 41.533 29.889 −19.302 1.00 32.14 ATOM 842 CG2 ILE 131 38.722 30.262 −20.528 1.00 29.11 ATOM 843 C ILE 131 36.682 30.663 −18.306 1.00 29.13 ATOM 844 O ILE 131 36.524 29.577 −17.741 1.00 30.99 ATOM 845 N ASN 164 37.282 36.882 −7.815 1.00 38.98 ATOM 846 CA ASN 164 37.987 35.694 −7.304 1.00 38.32 ATOM 847 CB ASN 164 39.470 35.729 −7.673 1.00 37.51 ATOM 848 CG ASN 164 39.710 35.902 −9.190 1.00 38.10 ATOM 849 OD1 ASN 164 38.812 35.677 −10.019 1.00 33.68 ATOM 850 ND2 ASN 164 40.917 36.338 −9.540 1.00 34.99 ATOM 851 C ASN 164 37.759 35.327 −5.817 1.00 38.77 ATOM 852 O ASN 164 38.607 34.631 −5.192 1.00 39.55 ATOM 853 O HOH 13 43.750 39.334 −13.145 1.00 28.96 ATOM 854 O HOH 16 40.399 29.413 −15.417 1.00 28.45 ATOM 855 O HOH 43 40.476 25.942 −12.392 1.00 25.27 ATOM 856 O HOH 59 33.030 28.026 −11.083 1.00 31.40 ATOM 857 O HOH 67 39.649 21.814 −18.865 1.00 47.03 ATOM 858 O HOH 106 50.161 43.713 −11.622 1.00 38.31 ATOM 859 O HOH 112 47.845 25.173 −15.269 1.00 53.31 ATOM 860 O HOH 146 34.089 21.987 −9.344 1.00 34.34 ATOM 861 O HOH 162 54.541 32.509 −14.452 1.00 53.57 ATOM 862 O HOH 187 41.347 26.658 −14.661 1.00 46.21 ATOM 863 O HOH 188 46.213 38.062 −13.128 1.00 32.16 ATOM 864 O HOH 197 49.443 30.918 −14.330 1.00 40.46 ATOM 865 O HOH 198 47.210 39.209 −14.726 1.00 36.63 ATOM 866 O HOH 217 49.742 24.216 −9.382 1.00 63.31 ATOM 867 O HOH 250 29.116 26.588 −8.716 1.00 43.13 TER 

The claimed invention is:
 1. A computer-based method for the analysis of the interaction of a ligand with QueF, which comprises: providing the QueF structure of FIG. 2; providing the QueF active site structures of FIG. 3 and FIG. 4; providing the amino acids and three-dimensional coordinates of any or all of Tables 1-4, wherein the coordinates of Tables 14 can be optionally varied by a root mean square distance (rmsd) of less than 1.5 Å, or selected coordinates thereof; providing a ligand structure to be fitted to said QueF structure or selected coordinates thereof; and fitting the ligand structure to the QueF structure, wherein the ligand structure is fitted to at least one atom from the amino acids shown in Tables
 14. 2. The method of claim 1, wherein the coordinates of Tables 1-4 can be optionally varied by a rmsd of less than 0.5 Å or selected coordinates thereof.
 3. A method of providing data for designing and/or performing optimization of QueF mutants that catalyze the conversion of a nitrile containing compound to the corresponding amine, the method comprising: (i) establishing communication with a remote device containing computer-readable data comprising the structure of any or all of Tables 1-4, optionally varied by a rmsd of less than 1.5 Å or selected coordinates thereof; and (ii) receiving the computer-readable data from the remote device.
 4. The method of claim 3, wherein the structure of any or all of Tables 1-4 can be optionally varied by a rmsd of less than 0.5 Å.
 5. The method of claim 3, wherein the designing and/or performing optimization of QueF mutants may involve the substitution, deletion, or addition of at least one amino acid residue.
 6. The method of claim 5, wherein the at least one amino acid does not interact with the ligand.
 7. The method of claim 5, wherein the at least one amino acid does interact with the ligand.
 8. The method of claim 2, wherein the ability of a modified QueF to catalyze the conversion of a nitrile containing compound to the corresponding amine is determined by screening various nitrile containing compounds against the modified QueF. 